4-(4-butylcyclohexyl)pyridine;ethane

C17H29N — CID 143311003

IUPAC4-(4-butylcyclohexyl)pyridine;ethane
SMILESCC.CCCCC1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H23N.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16-12-10-15;1-2/h9-14H,2-8H2,1H3;1-2H3
InChIKeyOWGQQIVRMLIMFE-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.57
Rot. Bonds4

About 4-(4-butylcyclohexyl)pyridine;ethane

4-(4-butylcyclohexyl)pyridine;ethane (PubChem CID 143311003) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)pyridine;ethane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)pyridine;ethane
PubChem CID143311003
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(4-butylcyclohexyl)pyridine;ethane
SMILESCC.CCCCC1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H23N.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16-12-10-15;1-2/h9-14H,2-8H2,1H3;1-2H3
InChIKeyOWGQQIVRMLIMFE-UHFFFAOYSA-N
XLogP5.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane
CID 141324734
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
4-(4-butylcyclohexyl)-N-methylaniline
CID 21348956
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)pyridine;ethane?
The IUPAC name of 4-(4-butylcyclohexyl)pyridine;ethane (CID 143311003) is 4-(4-butylcyclohexyl)pyridine;ethane.
What is the SMILES notation for 4-(4-butylcyclohexyl)pyridine;ethane?
The canonical SMILES for 4-(4-butylcyclohexyl)pyridine;ethane is CC.CCCCC1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)pyridine;ethane?
The InChIKey is OWGQQIVRMLIMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16-12-10-15;1-2/h9-14H,2-8H2,1H3;1-2H3.
What are the key properties of 4-(4-butylcyclohexyl)pyridine;ethane?
4-(4-butylcyclohexyl)pyridine;ethane has a molecular weight of 247.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)pyridine;ethane is sourced from PubChem (CID 143311003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).