(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine

C18H28N2 — CID 11380271

IUPAC(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN(C2CCCCC2)[C@H]2CCNC2)c1
InChIInChI=1S/C18H28N2/c1-15-6-5-7-16(12-15)14-20(18-10-11-19-13-18)17-8-3-2-4-9-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyQNRWPTGIEMKZGL-SFHVURJKSA-N
MW272.44 g/mol
LogP3.49
Rot. Bonds4

About (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine

(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 11380271) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID11380271
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN(C2CCCCC2)[C@H]2CCNC2)c1
InChIInChI=1S/C18H28N2/c1-15-6-5-7-16(12-15)14-20(18-10-11-19-13-18)17-8-3-2-4-9-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyQNRWPTGIEMKZGL-SFHVURJKSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-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

(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
CID 11278131
N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
CID 120842423
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine (CID 11380271) is (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine is Cc1cccc(CN(C2CCCCC2)[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is QNRWPTGIEMKZGL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-6-5-7-16(12-15)14-20(18-10-11-19-13-18)17-8-3-2-4-9-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine?
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11380271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).