1-cyclohexyl-2-propylsulfanylethanamine

C11H23NS — CID 65128728

IUPAC1-cyclohexyl-2-propylsulfanylethanamine
SMILESCCCSCC(N)C1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyXRQISXJTZODXKC-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds5

About 1-cyclohexyl-2-propylsulfanylethanamine

1-cyclohexyl-2-propylsulfanylethanamine (PubChem CID 65128728) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-propylsulfanylethanamine
PubChem CID65128728
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-cyclohexyl-2-propylsulfanylethanamine
SMILESCCCSCC(N)C1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyXRQISXJTZODXKC-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-cyclohexyl-2-propylsulfanylethanamine 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-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82931214
1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 104754976
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
ethyl 2-(2-amino-2-cyclopentylethyl)sulfanylacetate
CID 104755112
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cycloheptylheptan-1-amine
CID 65399314
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
CID 65128562
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 113449523

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-propylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-propylsulfanylethanamine (CID 65128728) is 1-cyclohexyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-propylsulfanylethanamine is CCCSCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-propylsulfanylethanamine?
The InChIKey is XRQISXJTZODXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-2-propylsulfanylethanamine?
1-cyclohexyl-2-propylsulfanylethanamine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-propylsulfanylethanamine is sourced from PubChem (CID 65128728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).