4-(cyclohexylmethylsulfanyl)butan-1-amine

C11H23NS — CID 139906889

IUPAC4-(cyclohexylmethylsulfanyl)butan-1-amine
SMILESNCCCCSCC1CCCCC1
InChIInChI=1S/C11H23NS/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h11H,1-10,12H2
InChIKeyRSWWTZZSUMOHOQ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds6

About 4-(cyclohexylmethylsulfanyl)butan-1-amine

4-(cyclohexylmethylsulfanyl)butan-1-amine (PubChem CID 139906889) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfanyl)butan-1-amine
PubChem CID139906889
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(cyclohexylmethylsulfanyl)butan-1-amine
SMILESNCCCCSCC1CCCCC1
InChIInChI=1S/C11H23NS/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h11H,1-10,12H2
InChIKeyRSWWTZZSUMOHOQ-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(cyclohexylmethylsulfanyl)butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfanyl)butan-1-amine?
The IUPAC name of 4-(cyclohexylmethylsulfanyl)butan-1-amine (CID 139906889) is 4-(cyclohexylmethylsulfanyl)butan-1-amine.
What is the SMILES notation for 4-(cyclohexylmethylsulfanyl)butan-1-amine?
The canonical SMILES for 4-(cyclohexylmethylsulfanyl)butan-1-amine is NCCCCSCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylsulfanyl)butan-1-amine?
The InChIKey is RSWWTZZSUMOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h11H,1-10,12H2.
What are the key properties of 4-(cyclohexylmethylsulfanyl)butan-1-amine?
4-(cyclohexylmethylsulfanyl)butan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfanyl)butan-1-amine is sourced from PubChem (CID 139906889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).