3-(14-methylpentadecyl)pyridine

C21H37N — CID 19697272

IUPAC3-(14-methylpentadecyl)pyridine
SMILESCC(C)CCCCCCCCCCCCCc1cccnc1
InChIInChI=1S/C21H37N/c1-20(2)15-12-10-8-6-4-3-5-7-9-11-13-16-21-17-14-18-22-19-21/h14,17-20H,3-13,15-16H2,1-2H3
InChIKeyIOIWXKGYVDSZAF-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.96
Rot. Bonds14

About 3-(14-methylpentadecyl)pyridine

3-(14-methylpentadecyl)pyridine (PubChem CID 19697272) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 3-(14-methylpentadecyl)pyridine.

Molecular Properties

Compound Name3-(14-methylpentadecyl)pyridine
PubChem CID19697272
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name3-(14-methylpentadecyl)pyridine
SMILESCC(C)CCCCCCCCCCCCCc1cccnc1
InChIInChI=1S/C21H37N/c1-20(2)15-12-10-8-6-4-3-5-7-9-11-13-16-21-17-14-18-22-19-21/h14,17-20H,3-13,15-16H2,1-2H3
InChIKeyIOIWXKGYVDSZAF-UHFFFAOYSA-N
XLogP6.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.96
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-(5-methylhexyl)pyridine
CID 54316004
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
3-(9-methyldodecyl)pyridine
CID 91204403
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine
CID 162860706
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
8-pyridin-3-yloctan-1-ol
CID 11830623
3,5-bis(5-methylhexyl)pyridine
CID 90749065
(Z)-N-methoxy-3-methyl-12-pyridin-3-yldodecan-1-imine
CID 15735875

Frequently Asked Questions

What is the IUPAC name of 3-(14-methylpentadecyl)pyridine?
The IUPAC name of 3-(14-methylpentadecyl)pyridine (CID 19697272) is 3-(14-methylpentadecyl)pyridine.
What is the SMILES notation for 3-(14-methylpentadecyl)pyridine?
The canonical SMILES for 3-(14-methylpentadecyl)pyridine is CC(C)CCCCCCCCCCCCCc1cccnc1.
What is the InChIKey of 3-(14-methylpentadecyl)pyridine?
The InChIKey is IOIWXKGYVDSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-20(2)15-12-10-8-6-4-3-5-7-9-11-13-16-21-17-14-18-22-19-21/h14,17-20H,3-13,15-16H2,1-2H3.
What are the key properties of 3-(14-methylpentadecyl)pyridine?
3-(14-methylpentadecyl)pyridine has a molecular weight of 303.53 g/mol, XLogP of 6.96, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(14-methylpentadecyl)pyridine is sourced from PubChem (CID 19697272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).