N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide

C13H24N2O — CID 63940823

IUPACN-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide
SMILESCC(C)C(C#N)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)11(8-14)15-12(16)7-10(3)13(4,5)6/h9-11H,7H2,1-6H3,(H,15,16)
InChIKeyOIPWYTZJZRJUIN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.72
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide

N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide (PubChem CID 63940823) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide
PubChem CID63940823
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide
SMILESCC(C)C(C#N)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)11(8-14)15-12(16)7-10(3)13(4,5)6/h9-11H,7H2,1-6H3,(H,15,16)
InChIKeyOIPWYTZJZRJUIN-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide (CID 63940823) is N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide is CC(C)C(C#N)NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide?
The InChIKey is OIPWYTZJZRJUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)11(8-14)15-12(16)7-10(3)13(4,5)6/h9-11H,7H2,1-6H3,(H,15,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide?
N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide has a molecular weight of 224.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63940823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).