1-cyclohexylsulfanylhept-5-yn-2-amine

C13H23NS — CID 104805920

IUPAC1-cyclohexylsulfanylhept-5-yn-2-amine
SMILESCC#CCCC(N)CSC1CCCCC1
InChIInChI=1S/C13H23NS/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h12-13H,4-11,14H2,1H3
InChIKeyRNFXNZZOGBXVHA-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.18
Rot. Bonds5

About 1-cyclohexylsulfanylhept-5-yn-2-amine

1-cyclohexylsulfanylhept-5-yn-2-amine (PubChem CID 104805920) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-cyclohexylsulfanylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanylhept-5-yn-2-amine
PubChem CID104805920
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-cyclohexylsulfanylhept-5-yn-2-amine
SMILESCC#CCCC(N)CSC1CCCCC1
InChIInChI=1S/C13H23NS/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h12-13H,4-11,14H2,1H3
InChIKeyRNFXNZZOGBXVHA-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexylsulfanylhept-5-yn-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylhept-5-yn-2-amine?
The IUPAC name of 1-cyclohexylsulfanylhept-5-yn-2-amine (CID 104805920) is 1-cyclohexylsulfanylhept-5-yn-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanylhept-5-yn-2-amine?
The canonical SMILES for 1-cyclohexylsulfanylhept-5-yn-2-amine is CC#CCCC(N)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylhept-5-yn-2-amine?
The InChIKey is RNFXNZZOGBXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h12-13H,4-11,14H2,1H3.
What are the key properties of 1-cyclohexylsulfanylhept-5-yn-2-amine?
1-cyclohexylsulfanylhept-5-yn-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylhept-5-yn-2-amine is sourced from PubChem (CID 104805920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).