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

C14H22N2O — CID 113488783

IUPAC1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
SMILESCCC1(NC(=O)C2(C#N)CCCCC2)CCC1
InChIInChI=1S/C14H22N2O/c1-2-14(9-6-10-14)16-12(17)13(11-15)7-4-3-5-8-13/h2-10H2,1H3,(H,16,17)
InChIKeyQENSKUWWOINNNZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds3

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

1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide (PubChem CID 113488783) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
PubChem CID113488783
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
SMILESCCC1(NC(=O)C2(C#N)CCCCC2)CCC1
InChIInChI=1S/C14H22N2O/c1-2-14(9-6-10-14)16-12(17)13(11-15)7-4-3-5-8-13/h2-10H2,1H3,(H,16,17)
InChIKeyQENSKUWWOINNNZ-UHFFFAOYSA-N
XLogP2.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
1-cyano-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 78974832
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 113471745
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]cycloheptane-1-carboxamide
CID 107853097
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide (CID 113488783) is 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide is CCC1(NC(=O)C2(C#N)CCCCC2)CCC1.
What is the InChIKey of 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is QENSKUWWOINNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-14(9-6-10-14)16-12(17)13(11-15)7-4-3-5-8-13/h2-10H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide?
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113488783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).