1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide

C14H22N2O2 — CID 113346655

IUPAC1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C#N)CCCCC2)CCO1
InChIInChI=1S/C14H22N2O2/c1-11-9-12(5-8-18-11)16-13(17)14(10-15)6-3-2-4-7-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyZZKJARGFHZJMKW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds2

About 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide

1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 113346655) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
PubChem CID113346655
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C#N)CCCCC2)CCO1
InChIInChI=1S/C14H22N2O2/c1-11-9-12(5-8-18-11)16-13(17)14(10-15)6-3-2-4-7-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyZZKJARGFHZJMKW-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 64749228
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617
2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
CID 103951245
1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
CID 103709508
tert-butyl (2R,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683081
tert-butyl (2S,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683103
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
CID 103888163

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide (CID 113346655) is 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2(C#N)CCCCC2)CCO1.
What is the InChIKey of 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is ZZKJARGFHZJMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-12(5-8-18-11)16-13(17)14(10-15)6-3-2-4-7-14/h11-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide?
1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113346655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).