4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile

C17H27N — CID 86197713

IUPAC4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile
SMILESCCCCC1CCC(C2CC=C(C#N)CC2)CC1
InChIInChI=1S/C17H27N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7,14,16-17H,2-6,8-12H2,1H3
InChIKeyKUROIZKOASTVIE-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.23
Rot. Bonds4

About 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile

4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile (PubChem CID 86197713) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile
PubChem CID86197713
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile
SMILESCCCCC1CCC(C2CC=C(C#N)CC2)CC1
InChIInChI=1S/C17H27N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7,14,16-17H,2-6,8-12H2,1H3
InChIKeyKUROIZKOASTVIE-UHFFFAOYSA-N
XLogP5.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene;1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 70382598
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
CID 151155513
1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-hexylphenyl)benzene;1-hexyl-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzene
CID 159510660
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
1-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 19984601
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 19985129

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile?
The IUPAC name of 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile (CID 86197713) is 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile.
What is the SMILES notation for 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile?
The canonical SMILES for 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile is CCCCC1CCC(C2CC=C(C#N)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile?
The InChIKey is KUROIZKOASTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7,14,16-17H,2-6,8-12H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile?
4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile has a molecular weight of 245.41 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile is sourced from PubChem (CID 86197713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).