2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine

C16H25NS — CID 60665212

IUPAC2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
SMILESc1ccc(CSCCNCC2CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyGOSWMKFNWLGXAD-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.09
Rot. Bonds7

About 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine

2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine (PubChem CID 60665212) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
PubChem CID60665212
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
SMILESc1ccc(CSCCNCC2CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyGOSWMKFNWLGXAD-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-N'-cyclopentyl-N'-(cyclopentylmethyl)ethane-1,2-diamine
CID 118584973
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
N-(2-benzylsulfanylethyl)-N'-cyclopentyl-N'-propylethane-1,2-diamine
CID 118585253
N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclohexylethane-1,2-diamine;N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclopentylethane-1,2-diamine
CID 144977010
N-(3-benzylsulfanylpropyl)-N',N'-dicyclohexylpropane-1,3-diamine
CID 118585143
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
N-(4-benzylsulfanylbutyl)cyclopropanamine
CID 62584452
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
N-(2-benzylsulfanylethyl)-3,3-dimethylbutan-1-amine
CID 60695995
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine (CID 60665212) is 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine is c1ccc(CSCCNCC2CCCCC2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine?
The InChIKey is GOSWMKFNWLGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2.
What are the key properties of 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine?
2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 60665212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).