2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

C12H25N3O — CID 106024201

IUPAC2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1CCCN1C
InChIInChI=1S/C12H25N3O/c1-3-5-10(8-13)12(16)14-9-11-6-4-7-15(11)2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUVVQHHHWTYYIQD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds6

About 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (PubChem CID 106024201) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
PubChem CID106024201
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1CCCN1C
InChIInChI=1S/C12H25N3O/c1-3-5-10(8-13)12(16)14-9-11-6-4-7-15(11)2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUVVQHHHWTYYIQD-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide 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

(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
2-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 114138111
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (CID 106024201) is 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is CCCC(CN)C(=O)NCC1CCCN1C.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The InChIKey is UVVQHHHWTYYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-5-10(8-13)12(16)14-9-11-6-4-7-15(11)2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 106024201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).