2-(4,4-dimethylhexyl)pyridine

C13H21N — CID 57111041

IUPAC2-(4,4-dimethylhexyl)pyridine
SMILESCCC(C)(C)CCCc1ccccn1
InChIInChI=1S/C13H21N/c1-4-13(2,3)10-7-9-12-8-5-6-11-14-12/h5-6,8,11H,4,7,9-10H2,1-3H3
InChIKeyHZFSQOMZFSMPIB-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds5

About 2-(4,4-dimethylhexyl)pyridine

2-(4,4-dimethylhexyl)pyridine (PubChem CID 57111041) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(4,4-dimethylhexyl)pyridine.

Molecular Properties

Compound Name2-(4,4-dimethylhexyl)pyridine
PubChem CID57111041
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(4,4-dimethylhexyl)pyridine
SMILESCCC(C)(C)CCCc1ccccn1
InChIInChI=1S/C13H21N/c1-4-13(2,3)10-7-9-12-8-5-6-11-14-12/h5-6,8,11H,4,7,9-10H2,1-3H3
InChIKeyHZFSQOMZFSMPIB-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,5-dimethylhexyl)pyridine
CID 151657269
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-undecylpyridine
CID 66882765
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
CID 106707873
azanium;2-tetradecylpyridine;bromide
CID 157411341
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylhexyl)pyridine?
The IUPAC name of 2-(4,4-dimethylhexyl)pyridine (CID 57111041) is 2-(4,4-dimethylhexyl)pyridine.
What is the SMILES notation for 2-(4,4-dimethylhexyl)pyridine?
The canonical SMILES for 2-(4,4-dimethylhexyl)pyridine is CCC(C)(C)CCCc1ccccn1.
What is the InChIKey of 2-(4,4-dimethylhexyl)pyridine?
The InChIKey is HZFSQOMZFSMPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(2,3)10-7-9-12-8-5-6-11-14-12/h5-6,8,11H,4,7,9-10H2,1-3H3.
What are the key properties of 2-(4,4-dimethylhexyl)pyridine?
2-(4,4-dimethylhexyl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylhexyl)pyridine is sourced from PubChem (CID 57111041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).