2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine

C15H29NS — CID 65138768

IUPAC2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCC1CCC(C(N)CSC2CCCC2)CC1C
InChIInChI=1S/C15H29NS/c1-11-7-8-13(9-12(11)2)15(16)10-17-14-5-3-4-6-14/h11-15H,3-10,16H2,1-2H3
InChIKeyQZEDOMWFFPOVLE-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine

2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine (PubChem CID 65138768) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
PubChem CID65138768
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCC1CCC(C(N)CSC2CCCC2)CC1C
InChIInChI=1S/C15H29NS/c1-11-7-8-13(9-12(11)2)15(16)10-17-14-5-3-4-6-14/h11-15H,3-10,16H2,1-2H3
InChIKeyQZEDOMWFFPOVLE-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine 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 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine (CID 65138768) is 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine is CC1CCC(C(N)CSC2CCCC2)CC1C.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine?
The InChIKey is QZEDOMWFFPOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-11-7-8-13(9-12(11)2)15(16)10-17-14-5-3-4-6-14/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine?
2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine has a molecular weight of 255.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 65138768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).