1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile

C13H21N — CID 130513676

IUPAC1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
SMILESCCC1CCC(C2(C#N)CCC2)CC1
InChIInChI=1S/C13H21N/c1-2-11-4-6-12(7-5-11)13(10-14)8-3-9-13/h11-12H,2-9H2,1H3
InChIKeyKEVHHCRACUXXHJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile

1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile (PubChem CID 130513676) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
PubChem CID130513676
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
SMILESCCC1CCC(C2(C#N)CCC2)CC1
InChIInChI=1S/C13H21N/c1-2-11-4-6-12(7-5-11)13(10-14)8-3-9-13/h11-12H,2-9H2,1H3
InChIKeyKEVHHCRACUXXHJ-UHFFFAOYSA-N
XLogP3.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
CID 130514258
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethylcyclohexane-1-carbonitrile
CID 18643364
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
1-(4-pentylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 18596656
3-(4-ethylcyclohexyl)-1-methylcyclohexane-1-carbonitrile
CID 23041412
3-[4-(4-ethylcyclohexyl)cyclohexyl]-1-methylcyclohexane-1-carbonitrile
CID 23041174
3-ethyl-1-(3-methylcyclohexyl)cyclohexane-1-carbonitrile
CID 114277439
[1-(4-ethylcyclohexyl)cyclopropyl]methanamine
CID 130515219
4-cyclohexyl-1-(4-heptylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 57025886
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
2,6-dipropyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbonitrile
CID 23311884

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile (CID 130513676) is 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile is CCC1CCC(C2(C#N)CCC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile?
The InChIKey is KEVHHCRACUXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-11-4-6-12(7-5-11)13(10-14)8-3-9-13/h11-12H,2-9H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile?
1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile has a molecular weight of 191.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 130513676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).