3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide

C15H22N2O — CID 130286029

IUPAC3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1CCCC(C(=O)NC(C2CC2)C2CC2)C1
InChIInChI=1S/C15H22N2O/c16-9-10-2-1-3-13(8-10)15(18)17-14(11-4-5-11)12-6-7-12/h10-14H,1-8H2,(H,17,18)
InChIKeyBLCJQXDOJNHXRT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.62
Rot. Bonds4

About 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide

3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide (PubChem CID 130286029) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide
PubChem CID130286029
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1CCCC(C(=O)NC(C2CC2)C2CC2)C1
InChIInChI=1S/C15H22N2O/c16-9-10-2-1-3-13(8-10)15(18)17-14(11-4-5-11)12-6-7-12/h10-14H,1-8H2,(H,17,18)
InChIKeyBLCJQXDOJNHXRT-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide
CID 130284996
trans-(1R,3R)-3-cyanocyclohexane-1-carboxamide
CID 89420960
3-acetylcyclohexane-1-carbonitrile
CID 118513837
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
CID 175765864
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
2-amino-N-(dicyclopropylmethyl)cyclopropane-1-carboxamide
CID 114995469
2-(dicyclopropylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974678
3-cyano-N-[(E)-N'-[5-(4-fluorocyclohexyl)pyrazolidin-3-yl]-N-propan-2-ylcarbamimidoyl]cyclohexane-1-carboxamide
CID 140623055
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
CID 69057748
3-hydroxycyclohexane-1-carbonitrile
CID 22743809
trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
CID 89421009

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide (CID 130286029) is 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide is N#CC1CCCC(C(=O)NC(C2CC2)C2CC2)C1.
What is the InChIKey of 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BLCJQXDOJNHXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-9-10-2-1-3-13(8-10)15(18)17-14(11-4-5-11)12-6-7-12/h10-14H,1-8H2,(H,17,18).
What are the key properties of 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide?
3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130286029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).