5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine

C61H104N2 — CID 70426657

IUPAC5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
SMILESCCCCCCCc1ccc(C2CCC(C3CCC(CCCCCC)CC3)CC2)nc1.CCCCCCCc1ccc(C2CCC(C3CCC(CCCCCCC)CC3)CC2)nc1
InChIInChI=1S/C31H53N.C30H51N/c1-3-5-7-9-11-13-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-24-17-27(25-32-31)14-12-10-8-6-4-2;1-3-5-7-9-11-13-26-16-23-30(31-24-26)29-21-19-28(20-22-29)27-17-14-25(15-18-27)12-10-8-6-4-2/h17,24-26,28-30H,3-16,18-23H2,1-2H3;16,23-25,27-29H,3-15,17-22H2,1-2H3
InChIKeyDVVUUPCKYYXNHS-UHFFFAOYSA-N
MW865.52 g/mol
LogP19.68
Rot. Bonds27

About 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine

5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine (PubChem CID 70426657) has the molecular formula C61H104N2 and a molecular weight of 865.52 g/mol. Its IUPAC name is 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
PubChem CID70426657
Molecular FormulaC61H104N2
Molecular Weight865.52 g/mol
Exact Mass864.82
IUPAC Name5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
SMILESCCCCCCCc1ccc(C2CCC(C3CCC(CCCCCC)CC3)CC2)nc1.CCCCCCCc1ccc(C2CCC(C3CCC(CCCCCCC)CC3)CC2)nc1
InChIInChI=1S/C31H53N.C30H51N/c1-3-5-7-9-11-13-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-24-17-27(25-32-31)14-12-10-8-6-4-2;1-3-5-7-9-11-13-26-16-23-30(31-24-26)29-21-19-28(20-22-29)27-17-14-25(15-18-27)12-10-8-6-4-2/h17,24-26,28-30H,3-16,18-23H2,1-2H3;16,23-25,27-29H,3-15,17-22H2,1-2H3
InChIKeyDVVUUPCKYYXNHS-UHFFFAOYSA-N
XLogP19.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.52
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
CID 19858862
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
CID 139631047
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine (CID 70426657) is 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine is CCCCCCCc1ccc(C2CCC(C3CCC(CCCCCC)CC3)CC2)nc1.CCCCCCCc1ccc(C2CCC(C3CCC(CCCCCCC)CC3)CC2)nc1.
What is the InChIKey of 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine?
The InChIKey is DVVUUPCKYYXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53N.C30H51N/c1-3-5-7-9-11-13-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-24-17-27(25-32-31)14-12-10-8-6-4-2;1-3-5-7-9-11-13-26-16-23-30(31-24-26)29-21-19-28(20-22-29)27-17-14-25(15-18-27)12-10-8-6-4-2/h17,24-26,28-30H,3-16,18-23H2,1-2H3;16,23-25,27-29H,3-15,17-22H2,1-2H3.
What are the key properties of 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine?
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine has a molecular weight of 865.52 g/mol, XLogP of 19.68, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine is sourced from PubChem (CID 70426657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).