1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide

C15H24N2O — CID 61459262

IUPAC1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCCC2)CCCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18)
InChIKeyHNEGGVPPURBURY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds3

About 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide

1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide (PubChem CID 61459262) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
PubChem CID61459262
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCCC2)CCCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18)
InChIKeyHNEGGVPPURBURY-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide (CID 61459262) is 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The InChIKey is HNEGGVPPURBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18).
What are the key properties of 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61459262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).