N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

C20H34N2S — CID 118585113

IUPACN'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(CCN(C)CC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C20H34N2S/c1-21(17-19-9-5-3-6-10-19)13-14-22(15-16-23-2)18-20-11-7-4-8-12-20/h4,7-8,11-12,19H,3,5-6,9-10,13-18H2,1-2H3
InChIKeyJPCCDZHOMLZRJW-UHFFFAOYSA-N
MW334.57 g/mol
LogP4.36
Rot. Bonds10

About N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585113) has the molecular formula C20H34N2S and a molecular weight of 334.57 g/mol. Its IUPAC name is N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585113
Molecular FormulaC20H34N2S
Molecular Weight334.57 g/mol
Exact Mass334.24
IUPAC NameN'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(CCN(C)CC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C20H34N2S/c1-21(17-19-9-5-3-6-10-19)13-14-22(15-16-23-2)18-20-11-7-4-8-12-20/h4,7-8,11-12,19H,3,5-6,9-10,13-18H2,1-2H3
InChIKeyJPCCDZHOMLZRJW-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585113) is N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(CCN(C)CC1CCCCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is JPCCDZHOMLZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2S/c1-21(17-19-9-5-3-6-10-19)13-14-22(15-16-23-2)18-20-11-7-4-8-12-20/h4,7-8,11-12,19H,3,5-6,9-10,13-18H2,1-2H3.
What are the key properties of N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 334.57 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).