2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide

C13H23N3O — CID 113270427

IUPAC2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C13H23N3O/c1-4-13(3,10-14)12(17)15-9-11(2)16-7-5-6-8-16/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyUUXXESABWONISJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds5

About 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide

2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 113270427) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID113270427
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C13H23N3O/c1-4-13(3,10-14)12(17)15-9-11(2)16-7-5-6-8-16/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyUUXXESABWONISJ-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
2-pyrrolidin-1-ylpropylurea
CID 112728366
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 78995285
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide (CID 113270427) is 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide is CCC(C)(C#N)C(=O)NCC(C)N1CCCC1.
What is the InChIKey of 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is UUXXESABWONISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(3,10-14)12(17)15-9-11(2)16-7-5-6-8-16/h11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 113270427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).