2-cyano-N-(2,2-dimethylcyclohexyl)propanamide

C12H20N2O — CID 79877982

IUPAC2-cyano-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC(C#N)C(=O)NC1CCCCC1(C)C
InChIInChI=1S/C12H20N2O/c1-9(8-13)11(15)14-10-6-4-5-7-12(10,2)3/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyDOOGFMZVMKRNCW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds2

About 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide

2-cyano-N-(2,2-dimethylcyclohexyl)propanamide (PubChem CID 79877982) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-dimethylcyclohexyl)propanamide
PubChem CID79877982
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyano-N-(2,2-dimethylcyclohexyl)propanamide
SMILESCC(C#N)C(=O)NC1CCCCC1(C)C
InChIInChI=1S/C12H20N2O/c1-9(8-13)11(15)14-10-6-4-5-7-12(10,2)3/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyDOOGFMZVMKRNCW-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
CID 79878391
2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
CID 131177062
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide (CID 79877982) is 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide is CC(C#N)C(=O)NC1CCCCC1(C)C.
What is the InChIKey of 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide?
The InChIKey is DOOGFMZVMKRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(8-13)11(15)14-10-6-4-5-7-12(10,2)3/h9-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide?
2-cyano-N-(2,2-dimethylcyclohexyl)propanamide has a molecular weight of 208.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 79877982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).