3-(2,13,13-trimethyltetradecan-2-yl)pyridine

C22H39N — CID 126684092

IUPAC3-(2,13,13-trimethyltetradecan-2-yl)pyridine
SMILESCC(C)(C)CCCCCCCCCCC(C)(C)c1cccnc1
InChIInChI=1S/C22H39N/c1-21(2,3)16-12-10-8-6-7-9-11-13-17-22(4,5)20-15-14-18-23-19-20/h14-15,18-19H,6-13,16-17H2,1-5H3
InChIKeyRJSURNHBWCSVJE-UHFFFAOYSA-N
MW317.56 g/mol
LogP7.31
Rot. Bonds11

About 3-(2,13,13-trimethyltetradecan-2-yl)pyridine

3-(2,13,13-trimethyltetradecan-2-yl)pyridine (PubChem CID 126684092) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 3-(2,13,13-trimethyltetradecan-2-yl)pyridine.

Molecular Properties

Compound Name3-(2,13,13-trimethyltetradecan-2-yl)pyridine
PubChem CID126684092
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name3-(2,13,13-trimethyltetradecan-2-yl)pyridine
SMILESCC(C)(C)CCCCCCCCCCC(C)(C)c1cccnc1
InChIInChI=1S/C22H39N/c1-21(2,3)16-12-10-8-6-7-9-11-13-17-22(4,5)20-15-14-18-23-19-20/h14-15,18-19H,6-13,16-17H2,1-5H3
InChIKeyRJSURNHBWCSVJE-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
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

3-(2-methyloctan-2-yl)pyridine
CID 126558457
2-pyridin-3-yloctan-2-amine
CID 174517914
3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
CID 170215966
3-(5-methylnonan-5-yl)pyridine
CID 139543665
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
tripyridin-3-ylmethanol
CID 177395677
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711

Frequently Asked Questions

What is the IUPAC name of 3-(2,13,13-trimethyltetradecan-2-yl)pyridine?
The IUPAC name of 3-(2,13,13-trimethyltetradecan-2-yl)pyridine (CID 126684092) is 3-(2,13,13-trimethyltetradecan-2-yl)pyridine.
What is the SMILES notation for 3-(2,13,13-trimethyltetradecan-2-yl)pyridine?
The canonical SMILES for 3-(2,13,13-trimethyltetradecan-2-yl)pyridine is CC(C)(C)CCCCCCCCCCC(C)(C)c1cccnc1.
What is the InChIKey of 3-(2,13,13-trimethyltetradecan-2-yl)pyridine?
The InChIKey is RJSURNHBWCSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-21(2,3)16-12-10-8-6-7-9-11-13-17-22(4,5)20-15-14-18-23-19-20/h14-15,18-19H,6-13,16-17H2,1-5H3.
What are the key properties of 3-(2,13,13-trimethyltetradecan-2-yl)pyridine?
3-(2,13,13-trimethyltetradecan-2-yl)pyridine has a molecular weight of 317.56 g/mol, XLogP of 7.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,13,13-trimethyltetradecan-2-yl)pyridine is sourced from PubChem (CID 126684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).