(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine

C19H30N2 — CID 11346709

IUPAC(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN(CC2CCCC2)[C@H]2CCNC2)c1C
InChIInChI=1S/C19H30N2/c1-15-6-5-9-18(16(15)2)14-21(19-10-11-20-12-19)13-17-7-3-4-8-17/h5-6,9,17,19-20H,3-4,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyHRZQQQRNNXZBLC-IBGZPJMESA-N
MW286.46 g/mol
LogP3.66
Rot. Bonds5

About (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine

(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 11346709) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
PubChem CID11346709
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN(CC2CCCC2)[C@H]2CCNC2)c1C
InChIInChI=1S/C19H30N2/c1-15-6-5-9-18(16(15)2)14-21(19-10-11-20-12-19)13-17-7-3-4-8-17/h5-6,9,17,19-20H,3-4,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyHRZQQQRNNXZBLC-IBGZPJMESA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)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

N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
CID 65058304
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
(3R)-N-[(2-chloro-3-methylphenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;2,3-dihydroxybutanedioic acid
CID 69063680
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
CID 11278131
3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine (CID 11346709) is (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine is Cc1cccc(CN(CC2CCCC2)[C@H]2CCNC2)c1C.
What is the InChIKey of (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is HRZQQQRNNXZBLC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2/c1-15-6-5-9-18(16(15)2)14-21(19-10-11-20-12-19)13-17-7-3-4-8-17/h5-6,9,17,19-20H,3-4,7-8,10-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine?
(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).