3-(9-methyldodecyl)pyridine

C18H31N — CID 91204403

IUPAC3-(9-methyldodecyl)pyridine
SMILESCCCC(C)CCCCCCCCc1cccnc1
InChIInChI=1S/C18H31N/c1-3-11-17(2)12-8-6-4-5-7-9-13-18-14-10-15-19-16-18/h10,14-17H,3-9,11-13H2,1-2H3
InChIKeyMZZISDBQBZOUDK-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.79
Rot. Bonds11

About 3-(9-methyldodecyl)pyridine

3-(9-methyldodecyl)pyridine (PubChem CID 91204403) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-(9-methyldodecyl)pyridine.

Molecular Properties

Compound Name3-(9-methyldodecyl)pyridine
PubChem CID91204403
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-(9-methyldodecyl)pyridine
SMILESCCCC(C)CCCCCCCCc1cccnc1
InChIInChI=1S/C18H31N/c1-3-11-17(2)12-8-6-4-5-7-9-13-18-14-10-15-19-16-18/h10,14-17H,3-9,11-13H2,1-2H3
InChIKeyMZZISDBQBZOUDK-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.79
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-(14-methylpentadecyl)pyridine
CID 19697272
3-(5-methylhexyl)pyridine
CID 54316004
3-(4-bromoheptyl)pyridine
CID 104737066
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
(Z)-N-methoxy-3-methyl-12-pyridin-3-yldodecan-1-imine
CID 15735875
1-pyridin-3-ylundecan-3-ol
CID 105085819
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-pyridin-3-ylhexan-3-amine
CID 64506028
(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine
CID 162860706
3-(2-hexyloctyl)pyridine
CID 167277838
8-pyridin-3-yloctan-1-ol
CID 11830623

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyldodecyl)pyridine?
The IUPAC name of 3-(9-methyldodecyl)pyridine (CID 91204403) is 3-(9-methyldodecyl)pyridine.
What is the SMILES notation for 3-(9-methyldodecyl)pyridine?
The canonical SMILES for 3-(9-methyldodecyl)pyridine is CCCC(C)CCCCCCCCc1cccnc1.
What is the InChIKey of 3-(9-methyldodecyl)pyridine?
The InChIKey is MZZISDBQBZOUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-11-17(2)12-8-6-4-5-7-9-13-18-14-10-15-19-16-18/h10,14-17H,3-9,11-13H2,1-2H3.
What are the key properties of 3-(9-methyldodecyl)pyridine?
3-(9-methyldodecyl)pyridine has a molecular weight of 261.45 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyldodecyl)pyridine is sourced from PubChem (CID 91204403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).