2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide

C12H22N2O — CID 61060862

IUPAC2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(C)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H22N2O/c1-9(2)7-10(3)14(6)11(15)12(4,5)8-13/h9-10H,7H2,1-6H3
InChIKeyYABZBUAJECEEDG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds4

About 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide

2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide (PubChem CID 61060862) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide
PubChem CID61060862
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(C)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H22N2O/c1-9(2)7-10(3)14(6)11(15)12(4,5)8-13/h9-10H,7H2,1-6H3
InChIKeyYABZBUAJECEEDG-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-(4-methylpentan-2-yl)butanamide
CID 65269995
2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112551674
2-amino-2-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 60939188
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429996
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 113353206
methyl 2-[(2-cyano-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 55206623
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
CID 103102368

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide (CID 61060862) is 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide is CC(C)CC(C)N(C)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide?
The InChIKey is YABZBUAJECEEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)7-10(3)14(6)11(15)12(4,5)8-13/h9-10H,7H2,1-6H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide?
2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61060862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).