3-(2-methyloctan-2-yl)pyridine

C14H23N — CID 126558457

IUPAC3-(2-methyloctan-2-yl)pyridine
SMILESCCCCCCC(C)(C)c1cccnc1
InChIInChI=1S/C14H23N/c1-4-5-6-7-10-14(2,3)13-9-8-11-15-12-13/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVDJCISLNVGQHAK-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds6

About 3-(2-methyloctan-2-yl)pyridine

3-(2-methyloctan-2-yl)pyridine (PubChem CID 126558457) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2-methyloctan-2-yl)pyridine.

Molecular Properties

Compound Name3-(2-methyloctan-2-yl)pyridine
PubChem CID126558457
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2-methyloctan-2-yl)pyridine
SMILESCCCCCCC(C)(C)c1cccnc1
InChIInChI=1S/C14H23N/c1-4-5-6-7-10-14(2,3)13-9-8-11-15-12-13/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVDJCISLNVGQHAK-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
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-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092
2-pyridin-3-yloctan-2-amine
CID 174517914
3-(5-methylnonan-5-yl)pyridine
CID 139543665
2-ethynyl-2-pyridin-3-yloctanenitrile
CID 141123044
3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
CID 170215966
17-ethyl-17-pyridin-3-yltritriacontane-16,18-dione
CID 173099527
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
CID 113091993
3-octadecoxypyridine
CID 175800212

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloctan-2-yl)pyridine?
The IUPAC name of 3-(2-methyloctan-2-yl)pyridine (CID 126558457) is 3-(2-methyloctan-2-yl)pyridine.
What is the SMILES notation for 3-(2-methyloctan-2-yl)pyridine?
The canonical SMILES for 3-(2-methyloctan-2-yl)pyridine is CCCCCCC(C)(C)c1cccnc1.
What is the InChIKey of 3-(2-methyloctan-2-yl)pyridine?
The InChIKey is VDJCISLNVGQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-6-7-10-14(2,3)13-9-8-11-15-12-13/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 3-(2-methyloctan-2-yl)pyridine?
3-(2-methyloctan-2-yl)pyridine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloctan-2-yl)pyridine is sourced from PubChem (CID 126558457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).