N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine

C19H31NS — CID 64628015

IUPACN-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NS/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3
InChIKeyQCIPYIVPBDRNID-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.36
Rot. Bonds9

About N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine

N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 64628015) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID64628015
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NS/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3
InChIKeyQCIPYIVPBDRNID-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-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

Related Compounds

N-[2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 79333233
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63468845

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine (CID 64628015) is N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine is CCCNC(CSC1CCCC1)c1ccc(CCC)cc1.
What is the InChIKey of N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is QCIPYIVPBDRNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3.
What are the key properties of N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).