N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide

C13H24N2O — CID 60659959

IUPACN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
SMILESCCCC(C)C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H24N2O/c1-5-7-12(4)13(16)15(9-6-8-14)10-11(2)3/h11-12H,5-7,9-10H2,1-4H3
InChIKeyIOZZQOKCFSOGSM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.82
Rot. Bonds7

About N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide

N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide (PubChem CID 60659959) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
PubChem CID60659959
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
SMILESCCCC(C)C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H24N2O/c1-5-7-12(4)13(16)15(9-6-8-14)10-11(2)3/h11-12H,5-7,9-10H2,1-4H3
InChIKeyIOZZQOKCFSOGSM-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-cyanoethyl)-2-methylpentanamide
CID 4628054
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide (CID 60659959) is N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide is CCCC(C)C(=O)N(CCC#N)CC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide?
The InChIKey is IOZZQOKCFSOGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-12(4)13(16)15(9-6-8-14)10-11(2)3/h11-12H,5-7,9-10H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide?
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide has a molecular weight of 224.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 60659959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).