N1,N1,N6,N6-Tetramethyladipamide

Introduction

CAS No. :	3644-93-7	MDL No. :	MFCD01753239
Formula :	C10H20N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	VAJRBVISIJKTLZ-UHFFFAOYSA-N
M.W :	200.28	Pubchem ID :	94791
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	7
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	56.38
TPSA :	40.62 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.44
Log Po/w (XLOGP3) :	-0.2
Log Po/w (WLOGP) :	0.72
Log Po/w (MLOGP) :	0.74
Log Po/w (SILICOS-IT) :	0.48
Consensus Log Po/w :	0.84

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.49
Solubility :	64.3 mg/ml ; 0.321 mol/l
Class :	Very soluble
Log S (Ali) :	-0.2
Solubility :	127.0 mg/ml ; 0.636 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.62
Solubility :	4.76 mg/ml ; 0.0238 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.31

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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