N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine

C17H25NS — CID 103776484

IUPACN-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H25NS/c1-19-16-10-6-5-9-15(16)18-17(14-11-12-14)13-7-3-2-4-8-13/h2-4,7-8,14-18H,5-6,9-12H2,1H3
InChIKeyKQAYKDWFGAHONW-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.40
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine

N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103776484) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103776484
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H25NS/c1-19-16-10-6-5-9-15(16)18-17(14-11-12-14)13-7-3-2-4-8-13/h2-4,7-8,14-18H,5-6,9-12H2,1H3
InChIKeyKQAYKDWFGAHONW-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-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 N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine (CID 103776484) is N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is KQAYKDWFGAHONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-19-16-10-6-5-9-15(16)18-17(14-11-12-14)13-7-3-2-4-8-13/h2-4,7-8,14-18H,5-6,9-12H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103776484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).