(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide

C14H23N3O — CID 70338332

IUPAC(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
SMILESN#CC1(NC(=O)[C@@H](N)C2CCCCC2)CCCC1
InChIInChI=1S/C14H23N3O/c15-10-14(8-4-5-9-14)17-13(18)12(16)11-6-2-1-3-7-11/h11-12H,1-9,16H2,(H,17,18)/t12-/m0/s1
InChIKeyBPTIFZPLFZISGE-LBPRGKRZSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds3

About (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide

(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide (PubChem CID 70338332) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
PubChem CID70338332
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
SMILESN#CC1(NC(=O)[C@@H](N)C2CCCCC2)CCCC1
InChIInChI=1S/C14H23N3O/c15-10-14(8-4-5-9-14)17-13(18)12(16)11-6-2-1-3-7-11/h11-12H,1-9,16H2,(H,17,18)/t12-/m0/s1
InChIKeyBPTIFZPLFZISGE-LBPRGKRZSA-N
XLogP1.85
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
CID 97063618
2-amino-2-cyclohexyl-N-methylacetamide
CID 66931955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide?
The IUPAC name of (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide (CID 70338332) is (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide is N#CC1(NC(=O)[C@@H](N)C2CCCCC2)CCCC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide?
The InChIKey is BPTIFZPLFZISGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c15-10-14(8-4-5-9-14)17-13(18)12(16)11-6-2-1-3-7-11/h11-12H,1-9,16H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide?
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide is sourced from PubChem (CID 70338332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).