N-(cyanomethyl)-N-methyl-2-propylpentanamide

C11H20N2O — CID 115532829

IUPACN-(cyanomethyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC#N
InChIInChI=1S/C11H20N2O/c1-4-6-10(7-5-2)11(14)13(3)9-8-12/h10H,4-7,9H2,1-3H3
InChIKeyXXFJVNLAONRIAM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.18
Rot. Bonds6

About N-(cyanomethyl)-N-methyl-2-propylpentanamide

N-(cyanomethyl)-N-methyl-2-propylpentanamide (PubChem CID 115532829) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-2-propylpentanamide
PubChem CID115532829
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(cyanomethyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC#N
InChIInChI=1S/C11H20N2O/c1-4-6-10(7-5-2)11(14)13(3)9-8-12/h10H,4-7,9H2,1-3H3
InChIKeyXXFJVNLAONRIAM-UHFFFAOYSA-N
XLogP2.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-2-propylpentanamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-2-propylpentanamide (CID 115532829) is N-(cyanomethyl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-2-propylpentanamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-N-methyl-2-propylpentanamide?
The InChIKey is XXFJVNLAONRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-10(7-5-2)11(14)13(3)9-8-12/h10H,4-7,9H2,1-3H3.
What are the key properties of N-(cyanomethyl)-N-methyl-2-propylpentanamide?
N-(cyanomethyl)-N-methyl-2-propylpentanamide has a molecular weight of 196.29 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-2-propylpentanamide is sourced from PubChem (CID 115532829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).