5-(3-methylcyclohexyl)sulfanylpentan-1-amine

C12H25NS — CID 62721729

IUPAC5-(3-methylcyclohexyl)sulfanylpentan-1-amine
SMILESCC1CCCC(SCCCCCN)C1
InChIInChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)14-9-4-2-3-8-13/h11-12H,2-10,13H2,1H3
InChIKeyRSPUSCHIXANSGZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds6

About 5-(3-methylcyclohexyl)sulfanylpentan-1-amine

5-(3-methylcyclohexyl)sulfanylpentan-1-amine (PubChem CID 62721729) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)sulfanylpentan-1-amine
PubChem CID62721729
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name5-(3-methylcyclohexyl)sulfanylpentan-1-amine
SMILESCC1CCCC(SCCCCCN)C1
InChIInChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)14-9-4-2-3-8-13/h11-12H,2-10,13H2,1H3
InChIKeyRSPUSCHIXANSGZ-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)sulfanylpentan-1-amine?
The IUPAC name of 5-(3-methylcyclohexyl)sulfanylpentan-1-amine (CID 62721729) is 5-(3-methylcyclohexyl)sulfanylpentan-1-amine.
What is the SMILES notation for 5-(3-methylcyclohexyl)sulfanylpentan-1-amine?
The canonical SMILES for 5-(3-methylcyclohexyl)sulfanylpentan-1-amine is CC1CCCC(SCCCCCN)C1.
What is the InChIKey of 5-(3-methylcyclohexyl)sulfanylpentan-1-amine?
The InChIKey is RSPUSCHIXANSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)14-9-4-2-3-8-13/h11-12H,2-10,13H2,1H3.
What are the key properties of 5-(3-methylcyclohexyl)sulfanylpentan-1-amine?
5-(3-methylcyclohexyl)sulfanylpentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)sulfanylpentan-1-amine is sourced from PubChem (CID 62721729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).