5-cyclohexyloxy-2-heptyl-3-methylpyridine

C19H31NO — CID 151337908

IUPAC5-cyclohexyloxy-2-heptyl-3-methylpyridine
SMILESCCCCCCCc1ncc(OC2CCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-10-13-19-16(2)14-18(15-20-19)21-17-11-8-7-9-12-17/h14-15,17H,3-13H2,1-2H3
InChIKeyOJVITOFLMBDTDN-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.61
Rot. Bonds8

About 5-cyclohexyloxy-2-heptyl-3-methylpyridine

5-cyclohexyloxy-2-heptyl-3-methylpyridine (PubChem CID 151337908) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-cyclohexyloxy-2-heptyl-3-methylpyridine.

Molecular Properties

Compound Name5-cyclohexyloxy-2-heptyl-3-methylpyridine
PubChem CID151337908
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-cyclohexyloxy-2-heptyl-3-methylpyridine
SMILESCCCCCCCc1ncc(OC2CCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-10-13-19-16(2)14-18(15-20-19)21-17-11-8-7-9-12-17/h14-15,17H,3-13H2,1-2H3
InChIKeyOJVITOFLMBDTDN-UHFFFAOYSA-N
XLogP5.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclohexyloxy-2-heptyl-3-methylpyridine 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

2-butyl-5-cyclohexyloxy-3-methylpyridine
CID 151977702
2-(4-cyclododecyloxyphenyl)-5-decylpyridine
CID 67763246
5-cyclohexyloxy-N-propylpyridin-3-amine
CID 104536075
3-cyclobutyloxy-5-methylpyridine
CID 130057239
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
1-cyclohexyloxy-4-hexylbenzene;propane-2-sulfinate
CID 91223415
5-cyclohexyloxypyridin-3-amine
CID 104536072
(2-octylpyrimidin-5-yl) cyclohexanecarboxylate
CID 129014493
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2,3-dimethyl-5-piperidin-4-yloxypyridine
CID 145341710
2-tert-butyl-5-cyclopentyloxypyrimidine
CID 58088013
1-cyclopentyloxy-3-ethyl-5-propylbenzene
CID 91071126

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-2-heptyl-3-methylpyridine?
The IUPAC name of 5-cyclohexyloxy-2-heptyl-3-methylpyridine (CID 151337908) is 5-cyclohexyloxy-2-heptyl-3-methylpyridine.
What is the SMILES notation for 5-cyclohexyloxy-2-heptyl-3-methylpyridine?
The canonical SMILES for 5-cyclohexyloxy-2-heptyl-3-methylpyridine is CCCCCCCc1ncc(OC2CCCCC2)cc1C.
What is the InChIKey of 5-cyclohexyloxy-2-heptyl-3-methylpyridine?
The InChIKey is OJVITOFLMBDTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-10-13-19-16(2)14-18(15-20-19)21-17-11-8-7-9-12-17/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 5-cyclohexyloxy-2-heptyl-3-methylpyridine?
5-cyclohexyloxy-2-heptyl-3-methylpyridine has a molecular weight of 289.46 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-2-heptyl-3-methylpyridine is sourced from PubChem (CID 151337908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).