2-pentadecan-3-ylpyridine;hydrochloride

C20H36ClN — CID 175583895

IUPAC2-pentadecan-3-ylpyridine;hydrochloride
SMILESCCCCCCCCCCCCC(CC)c1ccccn1.Cl
InChIInChI=1S/C20H35N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)20-17-14-15-18-21-20;/h14-15,17-19H,3-13,16H2,1-2H3;1H
InChIKeyZEQHZVFNDSTSLJ-UHFFFAOYSA-N
MW325.97 g/mol
LogP7.31
Rot. Bonds13

About 2-pentadecan-3-ylpyridine;hydrochloride

2-pentadecan-3-ylpyridine;hydrochloride (PubChem CID 175583895) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is 2-pentadecan-3-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-pentadecan-3-ylpyridine;hydrochloride
PubChem CID175583895
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC Name2-pentadecan-3-ylpyridine;hydrochloride
SMILESCCCCCCCCCCCCC(CC)c1ccccn1.Cl
InChIInChI=1S/C20H35N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)20-17-14-15-18-21-20;/h14-15,17-19H,3-13,16H2,1-2H3;1H
InChIKeyZEQHZVFNDSTSLJ-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.97
LogP ≤ 57.31
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

2-tridecan-6-ylpyridine
CID 139295924
2-decan-4-ylpyridine
CID 67882797
ethane;2-pentan-3-ylpyridine
CID 142883968
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
4-decan-3-ylpyrimidine
CID 170150821
2-(1-bromohexadecyl)pyridine;hydrate
CID 175001127
2-pyridin-2-ylnonan-3-amine
CID 114753071
3-pyridin-2-ylheptanenitrile
CID 70542151
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
1-pyridin-2-yloctylhydrazine
CID 105195796
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
2-(6-phenyloctan-2-yl)pyridine
CID 122575770

Frequently Asked Questions

What is the IUPAC name of 2-pentadecan-3-ylpyridine;hydrochloride?
The IUPAC name of 2-pentadecan-3-ylpyridine;hydrochloride (CID 175583895) is 2-pentadecan-3-ylpyridine;hydrochloride.
What is the SMILES notation for 2-pentadecan-3-ylpyridine;hydrochloride?
The canonical SMILES for 2-pentadecan-3-ylpyridine;hydrochloride is CCCCCCCCCCCCC(CC)c1ccccn1.Cl.
What is the InChIKey of 2-pentadecan-3-ylpyridine;hydrochloride?
The InChIKey is ZEQHZVFNDSTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)20-17-14-15-18-21-20;/h14-15,17-19H,3-13,16H2,1-2H3;1H.
What are the key properties of 2-pentadecan-3-ylpyridine;hydrochloride?
2-pentadecan-3-ylpyridine;hydrochloride has a molecular weight of 325.97 g/mol, XLogP of 7.31, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecan-3-ylpyridine;hydrochloride is sourced from PubChem (CID 175583895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).