2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide

C13H23N3O — CID 11459036

IUPAC2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H23N3O/c1-12(2,3)8-10(15)11(17)16-13(9-14)6-4-5-7-13/h10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyRHEZMECKVUOEMX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide

2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide (PubChem CID 11459036) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide
PubChem CID11459036
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H23N3O/c1-12(2,3)8-10(15)11(17)16-13(9-14)6-4-5-7-13/h10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyRHEZMECKVUOEMX-UHFFFAOYSA-N
XLogP1.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-1-[(2S)-2-amino-4,4-dimethylpentanoyl]-5-methylpyrrolidine-2-carbonitrile
CID 10082884
2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide
CID 20825341
2-Amino-4-methyl-pentanoic acid (cyano-dimethyl-methyl)-amide
CID 53901366
2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide
CID 57946260
(2S)-2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide
CID 60024696
(2S)-2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide
CID 60024706
1-Amino-N-isopropylcyclopentane-1-carboxamide
CID 60866495
1-[(2S)-2-amino-4,4-dimethylhexanoyl]pyrrolidine-2-carbonitrile
CID 67011438
(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide
CID 69140293
2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide
CID 69415866
2-amino-N-(4-cyanopiperidin-4-yl)-4,4-dimethylpentanamide
CID 69418577
2-amino-N-(3-cyano-1-propan-2-ylpyrrolidin-3-yl)-4,4-dimethylpentanamide
CID 69418882

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide (CID 11459036) is 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide is CC(C)(C)CC(N)C(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide?
The InChIKey is RHEZMECKVUOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2,3)8-10(15)11(17)16-13(9-14)6-4-5-7-13/h10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide?
2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide has a molecular weight of 237.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 11459036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).