2-(3-methylhex-1-en-3-yl)pyridine

C12H17N — CID 102266496

IUPAC2-(3-methylhex-1-en-3-yl)pyridine
SMILESC=CC(C)(CCC)c1ccccn1
InChIInChI=1S/C12H17N/c1-4-9-12(3,5-2)11-8-6-7-10-13-11/h5-8,10H,2,4,9H2,1,3H3
InChIKeyQAQPTLRMDFALPD-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-methylhex-1-en-3-yl)pyridine

2-(3-methylhex-1-en-3-yl)pyridine (PubChem CID 102266496) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(3-methylhex-1-en-3-yl)pyridine.

Molecular Properties

Compound Name2-(3-methylhex-1-en-3-yl)pyridine
PubChem CID102266496
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(3-methylhex-1-en-3-yl)pyridine
SMILESC=CC(C)(CCC)c1ccccn1
InChIInChI=1S/C12H17N/c1-4-9-12(3,5-2)11-8-6-7-10-13-11/h5-8,10H,2,4,9H2,1,3H3
InChIKeyQAQPTLRMDFALPD-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-methylidene-1-phenyl-1-pyridin-2-ylpentan-1-ol
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2-(1,1-difluoropropyl)pyridine
CID 59088790
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3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
2-(1,1,1-trifluoro-2-propoxypent-4-en-2-yl)pyridine
CID 146396876
2-tert-butylpyridine;ethane;methane
CID 143332153
1-pyridin-2-ylpropane-1,1-diol
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2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylhex-1-en-3-yl)pyridine?
The IUPAC name of 2-(3-methylhex-1-en-3-yl)pyridine (CID 102266496) is 2-(3-methylhex-1-en-3-yl)pyridine.
What is the SMILES notation for 2-(3-methylhex-1-en-3-yl)pyridine?
The canonical SMILES for 2-(3-methylhex-1-en-3-yl)pyridine is C=CC(C)(CCC)c1ccccn1.
What is the InChIKey of 2-(3-methylhex-1-en-3-yl)pyridine?
The InChIKey is QAQPTLRMDFALPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-9-12(3,5-2)11-8-6-7-10-13-11/h5-8,10H,2,4,9H2,1,3H3.
What are the key properties of 2-(3-methylhex-1-en-3-yl)pyridine?
2-(3-methylhex-1-en-3-yl)pyridine has a molecular weight of 175.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhex-1-en-3-yl)pyridine is sourced from PubChem (CID 102266496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).