N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H24N2O — CID 61365534

IUPACN-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN#CC(NC(=O)C1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C16H24N2O/c17-10-15(12-4-2-1-3-5-12)18-16(19)14-9-11-6-7-13(14)8-11/h11-15H,1-9H2,(H,18,19)
InChIKeyFJFRKZXLRRLSTR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.01
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61365534) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61365534
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN#CC(NC(=O)C1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C16H24N2O/c17-10-15(12-4-2-1-3-5-12)18-16(19)14-9-11-6-7-13(14)8-11/h11-15H,1-9H2,(H,18,19)
InChIKeyFJFRKZXLRRLSTR-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 131201811
cis-(1S,2R)-2-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1,2-dicarboxamide
CID 20740195
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
CID 144828396
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51296083
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 61365534) is N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is N#CC(NC(=O)C1CC2CCC1C2)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FJFRKZXLRRLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-10-15(12-4-2-1-3-5-12)18-16(19)14-9-11-6-7-13(14)8-11/h11-15H,1-9H2,(H,18,19).
What are the key properties of N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61365534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).