6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile

C22H32N2 — CID 139631047

IUPAC6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
SMILESCCCCC1CCC(C2CCC(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C22H32N2/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)22-14-7-18(15-23)16-24-22/h7,14,16-17,19-21H,2-6,8-13H2,1H3
InChIKeyDWBNBADLANZGCH-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.22
Rot. Bonds5

About 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile

6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile (PubChem CID 139631047) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
PubChem CID139631047
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
SMILESCCCCC1CCC(C2CCC(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C22H32N2/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)22-14-7-18(15-23)16-24-22/h7,14,16-17,19-21H,2-6,8-13H2,1H3
InChIKeyDWBNBADLANZGCH-UHFFFAOYSA-N
XLogP6.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(4-hexylcyclohexyl)phenyl]pyridine-3-carbonitrile
CID 139631031
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
4-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzonitrile
CID 139837189
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
2-(4-octylcyclohexyl)-5-(4-pentoxyphenyl)pyridine
CID 19859736
6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
CID 90890322

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile (CID 139631047) is 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile is CCCCC1CCC(C2CCC(c3ccc(C#N)cn3)CC2)CC1.
What is the InChIKey of 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile?
The InChIKey is DWBNBADLANZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)22-14-7-18(15-23)16-24-22/h7,14,16-17,19-21H,2-6,8-13H2,1H3.
What are the key properties of 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile?
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile has a molecular weight of 324.51 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile is sourced from PubChem (CID 139631047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).