1-cyano-N-(cyclohexylmethyl)formamide

C9H14N2O — CID 115172259

IUPAC1-cyano-N-(cyclohexylmethyl)formamide
SMILESN#CC(=O)NCC1CCCCC1
InChIInChI=1S/C9H14N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h8H,1-5,7H2,(H,11,12)
InChIKeyIXFXKTBGLXRWCW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds2

About 1-cyano-N-(cyclohexylmethyl)formamide

1-cyano-N-(cyclohexylmethyl)formamide (PubChem CID 115172259) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyano-N-(cyclohexylmethyl)formamide.

Molecular Properties

Compound Name1-cyano-N-(cyclohexylmethyl)formamide
PubChem CID115172259
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-cyano-N-(cyclohexylmethyl)formamide
SMILESN#CC(=O)NCC1CCCCC1
InChIInChI=1S/C9H14N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h8H,1-5,7H2,(H,11,12)
InChIKeyIXFXKTBGLXRWCW-UHFFFAOYSA-N
XLogP1.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

cis-1,4-Bis(acetamidomethyl)cyclohexane
CID 299429
N-(2-Propylpentyl)ethanimidic acid
CID 218531
2-cyano-N-(2-methylcyclohexyl)acetamide
CID 3843297
Acetamide, N-(cyclohexylmethyl)-2,2,2-trifluoro-
CID 10488619
n-(2-Ethylhexyl)acetamide
CID 291451
N-(cyclohexylmethyl)acetamide
CID 299700
N-(cyclohexylmethyl)-2-fluoroacetamide
CID 123567101
N-(Cyclohexylmethyl)pivalamide
CID 45841085
N-[[3-(acetamidomethyl)cyclohexyl]methyl]acetamide
CID 533857
2-cyano-N-(cyclohexyl) acetamide
CID 129914235
N-(cyclohexylmethyl)-2,2-difluoroacetamide
CID 103600604
2-cyano-N-[(2,2-difluorocyclohexyl)methyl]acetamide
CID 126793653

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclohexylmethyl)formamide?
The IUPAC name of 1-cyano-N-(cyclohexylmethyl)formamide (CID 115172259) is 1-cyano-N-(cyclohexylmethyl)formamide.
What is the SMILES notation for 1-cyano-N-(cyclohexylmethyl)formamide?
The canonical SMILES for 1-cyano-N-(cyclohexylmethyl)formamide is N#CC(=O)NCC1CCCCC1.
What is the InChIKey of 1-cyano-N-(cyclohexylmethyl)formamide?
The InChIKey is IXFXKTBGLXRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h8H,1-5,7H2,(H,11,12).
What are the key properties of 1-cyano-N-(cyclohexylmethyl)formamide?
1-cyano-N-(cyclohexylmethyl)formamide has a molecular weight of 166.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclohexylmethyl)formamide is sourced from PubChem (CID 115172259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).