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

C16H34N2S — CID 118585117

IUPACN-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCSC)CCN(C)CC1CCCCC1
InChIInChI=1S/C16H34N2S/c1-4-10-18(13-14-19-3)12-11-17(2)15-16-8-6-5-7-9-16/h16H,4-15H2,1-3H3
InChIKeyFAHNIMVAVFBWFE-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.57
Rot. Bonds10

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

N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine (PubChem CID 118585117) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
PubChem CID118585117
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC NameN-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCSC)CCN(C)CC1CCCCC1
InChIInChI=1S/C16H34N2S/c1-4-10-18(13-14-19-3)12-11-17(2)15-16-8-6-5-7-9-16/h16H,4-15H2,1-3H3
InChIKeyFAHNIMVAVFBWFE-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine (CID 118585117) is N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine is CCCN(CCSC)CCN(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The InChIKey is FAHNIMVAVFBWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-4-10-18(13-14-19-3)12-11-17(2)15-16-8-6-5-7-9-16/h16H,4-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine has a molecular weight of 286.53 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 118585117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).