2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide

C17H27N3O — CID 60847713

IUPAC2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-3-10-17(2,18)16(21)19-15-9-11-20(13-15)12-14-7-5-4-6-8-14/h4-8,15H,3,9-13,18H2,1-2H3,(H,19,21)
InChIKeyOWISFMZMSZOTBI-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide

2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide (PubChem CID 60847713) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
PubChem CID60847713
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-3-10-17(2,18)16(21)19-15-9-11-20(13-15)12-14-7-5-4-6-8-14/h4-8,15H,3,9-13,18H2,1-2H3,(H,19,21)
InChIKeyOWISFMZMSZOTBI-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide (CID 60847713) is 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide?
The InChIKey is OWISFMZMSZOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-17(2,18)16(21)19-15-9-11-20(13-15)12-14-7-5-4-6-8-14/h4-8,15H,3,9-13,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide?
2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide is sourced from PubChem (CID 60847713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).