2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine

C16H31NS — CID 63983395

IUPAC2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
SMILESCSCCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H31NS/c1-18-13-7-12-17-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h14-17H,2-13H2,1H3
InChIKeyPGVDXUGIROIOGF-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.47
Rot. Bonds6

About 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine

2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine (PubChem CID 63983395) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
PubChem CID63983395
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
SMILESCSCCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H31NS/c1-18-13-7-12-17-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h14-17H,2-13H2,1H3
InChIKeyPGVDXUGIROIOGF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.47
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-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309376
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
2-methyl-N-(3-methylsulfanylpropyl)cyclopropan-1-amine
CID 62399111

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine (CID 63983395) is 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine is CSCCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The InChIKey is PGVDXUGIROIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-18-13-7-12-17-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h14-17H,2-13H2,1H3.
What are the key properties of 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 63983395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).