3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine

C9H17N — CID 134923809

IUPAC3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
SMILESCCC1(C)CCC(C)=NC1
InChIInChI=1S/C9H17N/c1-4-9(3)6-5-8(2)10-7-9/h4-7H2,1-3H3
InChIKeyJSAQDDICYYBGBD-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds1

About 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine

3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine (PubChem CID 134923809) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
PubChem CID134923809
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
SMILESCCC1(C)CCC(C)=NC1
InChIInChI=1S/C9H17N/c1-4-9(3)6-5-8(2)10-7-9/h4-7H2,1-3H3
InChIKeyJSAQDDICYYBGBD-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1-methyl-4-methylidenecyclohexyl)methylphosphane
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1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine
CID 142265836
2-[6-(1-ethylcyclopropyl)hexyl]-3-[5-(1-methylcyclopropyl)pentyl]benzene-1,4-diol
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4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
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(4-ethyl-4-methylpiperidin-1-yl)phosphane
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(1-methyl-3-methylidenecyclopentyl)methylphosphane
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine?
The IUPAC name of 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine (CID 134923809) is 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine is CCC1(C)CCC(C)=NC1.
What is the InChIKey of 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine?
The InChIKey is JSAQDDICYYBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(3)6-5-8(2)10-7-9/h4-7H2,1-3H3.
What are the key properties of 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine?
3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 134923809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).