Didecylamine

Introduction

CAS No. :	1120-49-6	MDL No. :	MFCD00048396
Formula :	C20H43N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GMTCPFCMAHMEMT-UHFFFAOYSA-N
M.W :	297.56	Pubchem ID :	14261
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	18
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	101.06
TPSA :	12.03 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-1.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.45
Log Po/w (XLOGP3) :	8.8
Log Po/w (WLOGP) :	6.86
Log Po/w (MLOGP) :	5.39
Log Po/w (SILICOS-IT) :	7.25
Consensus Log Po/w :	6.75

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-6.04
Solubility :	0.000271 mg/ml ; 0.00000091 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.94
Solubility :	0.000000345 mg/ml ; 0.0000000012 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.98
Solubility :	0.0000031 mg/ml ; 0.0000000104 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.49

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine