1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine

C13H27NS — CID 82931214

IUPAC1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCC(N)C1CCCCCC1
InChIInChI=1S/C13H27NS/c1-11(2)9-15-10-13(14)12-7-5-3-4-6-8-12/h11-13H,3-10,14H2,1-2H3
InChIKeyDSKUNEDEESOHNS-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.67
Rot. Bonds5

About 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine

1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 82931214) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID82931214
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCC(N)C1CCCCCC1
InChIInChI=1S/C13H27NS/c1-11(2)9-15-10-13(14)12-7-5-3-4-6-8-12/h11-13H,3-10,14H2,1-2H3
InChIKeyDSKUNEDEESOHNS-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-2-(2-methylpropylsulfanyl)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 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine (CID 82931214) is 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine is CC(C)CSCC(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is DSKUNEDEESOHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(2)9-15-10-13(14)12-7-5-3-4-6-8-12/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine?
1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 229.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 82931214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).