4-cyano-N-ethyl-4,5-dimethylhexanamide

C11H20N2O — CID 123420117

IUPAC4-cyano-N-ethyl-4,5-dimethylhexanamide
SMILESCCNC(=O)CCC(C)(C#N)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-13-10(14)6-7-11(4,8-12)9(2)3/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyYBVKLZDGKXWIOR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.09
Rot. Bonds5

About 4-cyano-N-ethyl-4,5-dimethylhexanamide

4-cyano-N-ethyl-4,5-dimethylhexanamide (PubChem CID 123420117) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-cyano-N-ethyl-4,5-dimethylhexanamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-4,5-dimethylhexanamide
PubChem CID123420117
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-cyano-N-ethyl-4,5-dimethylhexanamide
SMILESCCNC(=O)CCC(C)(C#N)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-13-10(14)6-7-11(4,8-12)9(2)3/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyYBVKLZDGKXWIOR-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-4,5-dimethylhexanamide?
The IUPAC name of 4-cyano-N-ethyl-4,5-dimethylhexanamide (CID 123420117) is 4-cyano-N-ethyl-4,5-dimethylhexanamide.
What is the SMILES notation for 4-cyano-N-ethyl-4,5-dimethylhexanamide?
The canonical SMILES for 4-cyano-N-ethyl-4,5-dimethylhexanamide is CCNC(=O)CCC(C)(C#N)C(C)C.
What is the InChIKey of 4-cyano-N-ethyl-4,5-dimethylhexanamide?
The InChIKey is YBVKLZDGKXWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-13-10(14)6-7-11(4,8-12)9(2)3/h9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-cyano-N-ethyl-4,5-dimethylhexanamide?
4-cyano-N-ethyl-4,5-dimethylhexanamide has a molecular weight of 196.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-4,5-dimethylhexanamide is sourced from PubChem (CID 123420117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).