5-cyano-2-ethylhexanamide

C9H16N2O — CID 88878026

IUPAC5-cyano-2-ethylhexanamide
SMILESCCC(CCC(C)C#N)C(N)=O
InChIInChI=1S/C9H16N2O/c1-3-8(9(11)12)5-4-7(2)6-10/h7-8H,3-5H2,1-2H3,(H2,11,12)
InChIKeyNRWXBWVUCFFPBL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.44
Rot. Bonds5

About 5-cyano-2-ethylhexanamide

5-cyano-2-ethylhexanamide (PubChem CID 88878026) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-cyano-2-ethylhexanamide.

Molecular Properties

Compound Name5-cyano-2-ethylhexanamide
PubChem CID88878026
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-cyano-2-ethylhexanamide
SMILESCCC(CCC(C)C#N)C(N)=O
InChIInChI=1S/C9H16N2O/c1-3-8(9(11)12)5-4-7(2)6-10/h7-8H,3-5H2,1-2H3,(H2,11,12)
InChIKeyNRWXBWVUCFFPBL-UHFFFAOYSA-N
XLogP1.44
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylpentanamide;hydrochloride
CID 121334657
ethane;2-ethylpentanamide
CID 178117178
(2S)-2-ethylpentanediamide
CID 146526357
3-cyanobutyl 2-methylbutanoate
CID 58676069
2-ethyl-5-hydroxypentanamide
CID 21402948
lithium;2-ethylhexanamide;hydride
CID 173043498
azane;2-ethyldodecanamide
CID 174462460
4-N,1-dimethyl-1-N-[(2-methylbutanoylamino)methyl]nonane-1,4,7-tricarboxamide
CID 122547912
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
CID 22892686
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
2-ethyl-4-(propylamino)butanamide
CID 143325556

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethylhexanamide?
The IUPAC name of 5-cyano-2-ethylhexanamide (CID 88878026) is 5-cyano-2-ethylhexanamide.
What is the SMILES notation for 5-cyano-2-ethylhexanamide?
The canonical SMILES for 5-cyano-2-ethylhexanamide is CCC(CCC(C)C#N)C(N)=O.
What is the InChIKey of 5-cyano-2-ethylhexanamide?
The InChIKey is NRWXBWVUCFFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(9(11)12)5-4-7(2)6-10/h7-8H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of 5-cyano-2-ethylhexanamide?
5-cyano-2-ethylhexanamide has a molecular weight of 168.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethylhexanamide is sourced from PubChem (CID 88878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).