N-(1-cyanoethyl)-N,3-dimethylpentanamide

C10H18N2O — CID 114874733

IUPACN-(1-cyanoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C(C)C#N
InChIInChI=1S/C10H18N2O/c1-5-8(2)6-10(13)12(4)9(3)7-11/h8-9H,5-6H2,1-4H3
InChIKeyRUOLVARXMDYJPH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.79
Rot. Bonds4

About N-(1-cyanoethyl)-N,3-dimethylpentanamide

N-(1-cyanoethyl)-N,3-dimethylpentanamide (PubChem CID 114874733) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N,3-dimethylpentanamide
PubChem CID114874733
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-cyanoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C(C)C#N
InChIInChI=1S/C10H18N2O/c1-5-8(2)6-10(13)12(4)9(3)7-11/h8-9H,5-6H2,1-4H3
InChIKeyRUOLVARXMDYJPH-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726
N-(4-cyanophenyl)-N,3-dimethylpentanamide
CID 114874745
N-formyl-N,3-dimethylpentanamide
CID 142974327
4-amino-N-butan-2-yl-N,3-dimethylbutanamide
CID 81072119
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
(3R)-N-cyano-3-methylpentanamide
CID 153396008
carbonic acid;3-methylpentane
CID 173481374
3-methylpentane;hydrate
CID 144914279
N,3-dimethyl-N-phenylpentanamide
CID 147359069
2-ethoxy-N-methyl-N-(2-methylbutyl)acetamide
CID 63940982
ethyl (3R)-3-methylpentanoate
CID 7567160

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N,3-dimethylpentanamide?
The IUPAC name of N-(1-cyanoethyl)-N,3-dimethylpentanamide (CID 114874733) is N-(1-cyanoethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for N-(1-cyanoethyl)-N,3-dimethylpentanamide?
The canonical SMILES for N-(1-cyanoethyl)-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)C(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-N,3-dimethylpentanamide?
The InChIKey is RUOLVARXMDYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-8(2)6-10(13)12(4)9(3)7-11/h8-9H,5-6H2,1-4H3.
What are the key properties of N-(1-cyanoethyl)-N,3-dimethylpentanamide?
N-(1-cyanoethyl)-N,3-dimethylpentanamide has a molecular weight of 182.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 114874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).