2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide

C15H23N3O — CID 107654539

IUPAC2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
SMILESNCCCC1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c16-10-4-8-14-9-5-11-18(14)15(19)17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2,(H,17,19)
InChIKeyYXARDSGTCIPOGC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide

2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide (PubChem CID 107654539) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
PubChem CID107654539
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
SMILESNCCCC1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O/c16-10-4-8-14-9-5-11-18(14)15(19)17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2,(H,17,19)
InChIKeyYXARDSGTCIPOGC-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
CID 107654129
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 131944572
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
N-benzyl-2-carbamimidoylpyrrolidine-1-carboxamide
CID 107654638
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide (CID 107654539) is 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide is NCCCC1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide?
The InChIKey is YXARDSGTCIPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-10-4-8-14-9-5-11-18(14)15(19)17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2,(H,17,19).
What are the key properties of 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide?
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide is sourced from PubChem (CID 107654539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).