N-(2-cyanopropan-2-yl)-3-methylbutanamide

C9H16N2O — CID 60967814

IUPACN-(2-cyanopropan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(2)5-8(12)11-9(3,4)6-10/h7H,5H2,1-4H3,(H,11,12)
InChIKeyLCNQIALCPAWRDT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.45
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-3-methylbutanamide

N-(2-cyanopropan-2-yl)-3-methylbutanamide (PubChem CID 60967814) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-methylbutanamide
PubChem CID60967814
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-cyanopropan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(2)5-8(12)11-9(3,4)6-10/h7H,5H2,1-4H3,(H,11,12)
InChIKeyLCNQIALCPAWRDT-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanopentan-3-yl)-3-methylbutanamide
CID 61121009
N-(2-cyanopropan-2-yl)propanamide
CID 22972527
[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid
CID 87849076
3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
CID 110615058
N-(2-isocyanopropan-2-yl)-3-methylbutanamide
CID 88849340
N-(2-cyanopropan-2-yl)pentanamide
CID 60966959
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
2-(2-cyanopropan-2-ylamino)-2-oxoacetic acid
CID 82280208
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-methylbutanamide (CID 60967814) is N-(2-cyanopropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-methylbutanamide is CC(C)CC(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The InChIKey is LCNQIALCPAWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)5-8(12)11-9(3,4)6-10/h7H,5H2,1-4H3,(H,11,12).
What are the key properties of N-(2-cyanopropan-2-yl)-3-methylbutanamide?
N-(2-cyanopropan-2-yl)-3-methylbutanamide has a molecular weight of 168.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 60967814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).