1-cyclohexylsulfanylnonan-2-amine

C15H31NS — CID 65139649

IUPAC1-cyclohexylsulfanylnonan-2-amine
SMILESCCCCCCCC(N)CSC1CCCCC1
InChIInChI=1S/C15H31NS/c1-2-3-4-5-7-10-14(16)13-17-15-11-8-6-9-12-15/h14-15H,2-13,16H2,1H3
InChIKeyZEMAUAIYXORIDV-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.74
Rot. Bonds9

About 1-cyclohexylsulfanylnonan-2-amine

1-cyclohexylsulfanylnonan-2-amine (PubChem CID 65139649) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 1-cyclohexylsulfanylnonan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanylnonan-2-amine
PubChem CID65139649
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name1-cyclohexylsulfanylnonan-2-amine
SMILESCCCCCCCC(N)CSC1CCCCC1
InChIInChI=1S/C15H31NS/c1-2-3-4-5-7-10-14(16)13-17-15-11-8-6-9-12-15/h14-15H,2-13,16H2,1H3
InChIKeyZEMAUAIYXORIDV-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexylsulfanylnonan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
CID 65138550
1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910
1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
octylsulfanylcycloheptane
CID 70441156
1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920
1-cycloheptylheptan-2-amine
CID 115837607
hexylsulfanylcyclopentane
CID 534970

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylnonan-2-amine?
The IUPAC name of 1-cyclohexylsulfanylnonan-2-amine (CID 65139649) is 1-cyclohexylsulfanylnonan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanylnonan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanylnonan-2-amine is CCCCCCCC(N)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylnonan-2-amine?
The InChIKey is ZEMAUAIYXORIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-2-3-4-5-7-10-14(16)13-17-15-11-8-6-9-12-15/h14-15H,2-13,16H2,1H3.
What are the key properties of 1-cyclohexylsulfanylnonan-2-amine?
1-cyclohexylsulfanylnonan-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylnonan-2-amine is sourced from PubChem (CID 65139649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).