N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide

C11H20N2O — CID 82125860

IUPACN-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(C#N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)6-9(7-12)13-10(14)11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyCWJOMECVGNTNQO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.09
Rot. Bonds3

About N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide

N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide (PubChem CID 82125860) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide
PubChem CID82125860
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(C#N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)6-9(7-12)13-10(14)11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyCWJOMECVGNTNQO-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanobutyl)-2,2-dimethylpropanamide
CID 61119497
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946
N'-(1-cyano-3-methylbutyl)-2-methylpentanediamide
CID 18316717
2-(methanidylamino)-4-methylpentanenitrile;uranium
CID 155743178
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596
N-[3-[[(1S)-1-cyanopropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 95637464
N-(1-cyano-3-methylbutyl)-3,4-difluorobenzamide
CID 82131693
N-(1-cyano-3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 82287124
N-(1-cyanoethyl)-3,3-dimethyl-2-oxobutanamide
CID 131085841

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide (CID 82125860) is N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide is CC(C)CC(C#N)NC(=O)C(C)(C)C.
What is the InChIKey of N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide?
The InChIKey is CWJOMECVGNTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)6-9(7-12)13-10(14)11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14).
What are the key properties of N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide?
N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 82125860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).