N-(2-cyanopropyl)-N,3-dimethylpentanamide

C11H20N2O — CID 114874726

IUPACN-(2-cyanopropyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC(C)C#N
InChIInChI=1S/C11H20N2O/c1-5-9(2)6-11(14)13(4)8-10(3)7-12/h9-10H,5-6,8H2,1-4H3
InChIKeyOVXUNZKDOZXANU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.04
Rot. Bonds5

About N-(2-cyanopropyl)-N,3-dimethylpentanamide

N-(2-cyanopropyl)-N,3-dimethylpentanamide (PubChem CID 114874726) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,3-dimethylpentanamide
PubChem CID114874726
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(2-cyanopropyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC(C)C#N
InChIInChI=1S/C11H20N2O/c1-5-9(2)6-11(14)13(4)8-10(3)7-12/h9-10H,5-6,8H2,1-4H3
InChIKeyOVXUNZKDOZXANU-UHFFFAOYSA-N
XLogP2.04
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
CID 114876844
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
2-bromo-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 114328285
ethyl 2-[2-cyanopropyl(methyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537915
N-formyl-N,3-dimethylpentanamide
CID 142974327

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,3-dimethylpentanamide?
The IUPAC name of N-(2-cyanopropyl)-N,3-dimethylpentanamide (CID 114874726) is N-(2-cyanopropyl)-N,3-dimethylpentanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,3-dimethylpentanamide?
The canonical SMILES for N-(2-cyanopropyl)-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-N,3-dimethylpentanamide?
The InChIKey is OVXUNZKDOZXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(2)6-11(14)13(4)8-10(3)7-12/h9-10H,5-6,8H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,3-dimethylpentanamide?
N-(2-cyanopropyl)-N,3-dimethylpentanamide has a molecular weight of 196.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 114874726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).