[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone

C18H26N2O — CID 115434974

IUPAC[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCCC2Cc2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O/c19-14-18(10-4-5-11-18)17(21)20-12-6-9-16(20)13-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,19H2
InChIKeyYJDKGQMMTQCSPX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone

[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone (PubChem CID 115434974) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
PubChem CID115434974
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCCC2Cc2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O/c19-14-18(10-4-5-11-18)17(21)20-12-6-9-16(20)13-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,19H2
InChIKeyYJDKGQMMTQCSPX-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone 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

2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62480619
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
3-amino-1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 86813580
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 79211356
[1-(aminomethyl)cyclobutyl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 115448109
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
methyl 2-benzylazepane-1-carboxylate
CID 102314657

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone (CID 115434974) is [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone is NCC1(C(=O)N2CCCC2Cc2ccccc2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone?
The InChIKey is YJDKGQMMTQCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-14-18(10-4-5-11-18)17(21)20-12-6-9-16(20)13-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,19H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115434974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).