2-(3-methyloctyl)pyridine;hydrochloride

C14H24ClN — CID 172780204

IUPAC2-(3-methyloctyl)pyridine;hydrochloride
SMILESCCCCCC(C)CCc1ccccn1.Cl
InChIInChI=1S/C14H23N.ClH/c1-3-4-5-8-13(2)10-11-14-9-6-7-12-15-14;/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3;1H
InChIKeyODRKNABNFCVVRP-UHFFFAOYSA-N
MW241.81 g/mol
LogP4.65
Rot. Bonds7

About 2-(3-methyloctyl)pyridine;hydrochloride

2-(3-methyloctyl)pyridine;hydrochloride (PubChem CID 172780204) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is 2-(3-methyloctyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(3-methyloctyl)pyridine;hydrochloride
PubChem CID172780204
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name2-(3-methyloctyl)pyridine;hydrochloride
SMILESCCCCCC(C)CCc1ccccn1.Cl
InChIInChI=1S/C14H23N.ClH/c1-3-4-5-8-13(2)10-11-14-9-6-7-12-15-14;/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3;1H
InChIKeyODRKNABNFCVVRP-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 54.65
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

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CID 45489746
chromium;2-pentylpyridine;hydrochloride
CID 175220071
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CID 163557685
2-undecylpyridine
CID 66882765
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
2-hexadecylpyridine;hydrate
CID 141211108
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
azanium;2-tetradecylpyridine;bromide
CID 157411341
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloctyl)pyridine;hydrochloride?
The IUPAC name of 2-(3-methyloctyl)pyridine;hydrochloride (CID 172780204) is 2-(3-methyloctyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(3-methyloctyl)pyridine;hydrochloride?
The canonical SMILES for 2-(3-methyloctyl)pyridine;hydrochloride is CCCCCC(C)CCc1ccccn1.Cl.
What is the InChIKey of 2-(3-methyloctyl)pyridine;hydrochloride?
The InChIKey is ODRKNABNFCVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-3-4-5-8-13(2)10-11-14-9-6-7-12-15-14;/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3;1H.
What are the key properties of 2-(3-methyloctyl)pyridine;hydrochloride?
2-(3-methyloctyl)pyridine;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloctyl)pyridine;hydrochloride is sourced from PubChem (CID 172780204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).