N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine

C17H27N — CID 81386303

IUPACN-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-4-17(16-11-9-13(2)10-12-16)18-14(3)15-7-5-6-8-15/h9-12,14-15,17-18H,4-8H2,1-3H3/t14-,17?/m0/s1
InChIKeyHVMBTYMVJMRWEX-MBIQTGHCSA-N
MW245.41 g/mol
LogP4.61
Rot. Bonds5

About N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine

N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 81386303) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID81386303
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-4-17(16-11-9-13(2)10-12-16)18-14(3)15-7-5-6-8-15/h9-12,14-15,17-18H,4-8H2,1-3H3/t14-,17?/m0/s1
InChIKeyHVMBTYMVJMRWEX-MBIQTGHCSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)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-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
N-(1-cyclohexylethyl)-1-(furan-2-yl)propan-1-amine
CID 62631853
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine (CID 81386303) is N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine is CCC(N[C@@H](C)C1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is HVMBTYMVJMRWEX-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H27N/c1-4-17(16-11-9-13(2)10-12-16)18-14(3)15-7-5-6-8-15/h9-12,14-15,17-18H,4-8H2,1-3H3/t14-,17?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine?
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 81386303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).