3-dodecyl-2-methylpyridine;hydrochloride

C18H32ClN — CID 175157533

IUPAC3-dodecyl-2-methylpyridine;hydrochloride
SMILESCCCCCCCCCCCCc1cccnc1C.Cl
InChIInChI=1S/C18H31N.ClH/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19-17(18)2;/h13,15-16H,3-12,14H2,1-2H3;1H
InChIKeyWAXRYWSZVUEOLJ-UHFFFAOYSA-N
MW297.91 g/mol
LogP6.28
Rot. Bonds11

About 3-dodecyl-2-methylpyridine;hydrochloride

3-dodecyl-2-methylpyridine;hydrochloride (PubChem CID 175157533) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is 3-dodecyl-2-methylpyridine;hydrochloride.

Molecular Properties

Compound Name3-dodecyl-2-methylpyridine;hydrochloride
PubChem CID175157533
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Name3-dodecyl-2-methylpyridine;hydrochloride
SMILESCCCCCCCCCCCCc1cccnc1C.Cl
InChIInChI=1S/C18H31N.ClH/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19-17(18)2;/h13,15-16H,3-12,14H2,1-2H3;1H
InChIKeyWAXRYWSZVUEOLJ-UHFFFAOYSA-N
XLogP6.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.91
LogP ≤ 56.28
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-heptyl-2-methylpyridine
CID 134369519
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
2-methyl-3-propylpyridine
CID 18662893
3-(3-chloropropyl)-2-methylpyridine
CID 86128501
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
2-chloro-3-pentylpyridine
CID 54505218
2-dodecyl-3-ethylpyridine
CID 160514040
ethane;2-methyl-3-propylpyridine;1-propoxybutane
CID 153393005
2-nonylpyrimidine
CID 23297050
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-methylpyridine;hydrochloride?
The IUPAC name of 3-dodecyl-2-methylpyridine;hydrochloride (CID 175157533) is 3-dodecyl-2-methylpyridine;hydrochloride.
What is the SMILES notation for 3-dodecyl-2-methylpyridine;hydrochloride?
The canonical SMILES for 3-dodecyl-2-methylpyridine;hydrochloride is CCCCCCCCCCCCc1cccnc1C.Cl.
What is the InChIKey of 3-dodecyl-2-methylpyridine;hydrochloride?
The InChIKey is WAXRYWSZVUEOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N.ClH/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19-17(18)2;/h13,15-16H,3-12,14H2,1-2H3;1H.
What are the key properties of 3-dodecyl-2-methylpyridine;hydrochloride?
3-dodecyl-2-methylpyridine;hydrochloride has a molecular weight of 297.91 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-methylpyridine;hydrochloride is sourced from PubChem (CID 175157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).