N-cyanohexanamide

C7H12N2O — CID 15100145

IUPACN-cyanohexanamide
SMILESCCCCCC(=O)NC#N
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-7(10)9-6-8/h2-5H2,1H3,(H,9,10)
InChIKeyRMPBUKXOEJMRRN-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.16
Rot. Bonds4

About N-cyanohexanamide

N-cyanohexanamide (PubChem CID 15100145) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-cyanohexanamide.

Molecular Properties

Compound NameN-cyanohexanamide
PubChem CID15100145
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-cyanohexanamide
SMILESCCCCCC(=O)NC#N
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-7(10)9-6-8/h2-5H2,1H3,(H,9,10)
InChIKeyRMPBUKXOEJMRRN-UHFFFAOYSA-N
XLogP1.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Butyrylcyanamid
CID 14677382
N,N'-Dicyanoadipamide
CID 3015775
N-cyanododecanamide
CID 13750461
n-Cyano-3,3-difluoropentanamide
CID 164651563
N-cyanooctanamide
CID 14174696
Heptanamide, N-cyano-
CID 18997682
N-cyanotetradecanamide
CID 20475211
N-cyanononanamide
CID 21720728
N-cyanodecanamide
CID 21720975
N'-cyanohexanediamide
CID 53744313
N-cyanopentanamide
CID 57250959
N-cyano-4-methylpentanamide
CID 79193781

Frequently Asked Questions

What is the IUPAC name of N-cyanohexanamide?
The IUPAC name of N-cyanohexanamide (CID 15100145) is N-cyanohexanamide.
What is the SMILES notation for N-cyanohexanamide?
The canonical SMILES for N-cyanohexanamide is CCCCCC(=O)NC#N.
What is the InChIKey of N-cyanohexanamide?
The InChIKey is RMPBUKXOEJMRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-5-7(10)9-6-8/h2-5H2,1H3,(H,9,10).
What are the key properties of N-cyanohexanamide?
N-cyanohexanamide has a molecular weight of 140.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanohexanamide is sourced from PubChem (CID 15100145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).