3-(2-hexyloctyl)pyridine

C19H33N — CID 167277838

IUPAC3-(2-hexyloctyl)pyridine
SMILESCCCCCCC(CCCCCC)Cc1cccnc1
InChIInChI=1S/C19H33N/c1-3-5-7-9-12-18(13-10-8-6-4-2)16-19-14-11-15-20-17-19/h11,14-15,17-18H,3-10,12-13,16H2,1-2H3
InChIKeyCQNNZLXDQKJDFG-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.18
Rot. Bonds12

About 3-(2-hexyloctyl)pyridine

3-(2-hexyloctyl)pyridine (PubChem CID 167277838) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-(2-hexyloctyl)pyridine.

Molecular Properties

Compound Name3-(2-hexyloctyl)pyridine
PubChem CID167277838
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-(2-hexyloctyl)pyridine
SMILESCCCCCCC(CCCCCC)Cc1cccnc1
InChIInChI=1S/C19H33N/c1-3-5-7-9-12-18(13-10-8-6-4-2)16-19-14-11-15-20-17-19/h11,14-15,17-18H,3-10,12-13,16H2,1-2H3
InChIKeyCQNNZLXDQKJDFG-UHFFFAOYSA-N
XLogP6.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexyl)pyridine
CID 57206063
1-pyridin-3-ylundecan-2-amine
CID 62603230
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
3-(2-cyclopropylheptyl)pyridine
CID 57314652
1-pyridin-3-ylundecan-3-ol
CID 105085819
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
2-benzyltetradecylbenzene
CID 22920205
1-pyridin-3-ylnonan-3-ylhydrazine
CID 105294051
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052

Frequently Asked Questions

What is the IUPAC name of 3-(2-hexyloctyl)pyridine?
The IUPAC name of 3-(2-hexyloctyl)pyridine (CID 167277838) is 3-(2-hexyloctyl)pyridine.
What is the SMILES notation for 3-(2-hexyloctyl)pyridine?
The canonical SMILES for 3-(2-hexyloctyl)pyridine is CCCCCCC(CCCCCC)Cc1cccnc1.
What is the InChIKey of 3-(2-hexyloctyl)pyridine?
The InChIKey is CQNNZLXDQKJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-9-12-18(13-10-8-6-4-2)16-19-14-11-15-20-17-19/h11,14-15,17-18H,3-10,12-13,16H2,1-2H3.
What are the key properties of 3-(2-hexyloctyl)pyridine?
3-(2-hexyloctyl)pyridine has a molecular weight of 275.48 g/mol, XLogP of 6.18, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hexyloctyl)pyridine is sourced from PubChem (CID 167277838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).