3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine

C13H19N — CID 166963463

IUPAC3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine
SMILESC=C1CC=C(C2=NCC(C)CC2)CC1
InChIInChI=1S/C13H19N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h6,11H,1,3-5,7-9H2,2H3
InChIKeyONVUZBZEMWKYON-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds1

About 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine

3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 166963463) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine
PubChem CID166963463
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine
SMILESC=C1CC=C(C2=NCC(C)CC2)CC1
InChIInChI=1S/C13H19N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h6,11H,1,3-5,7-9H2,2H3
InChIKeyONVUZBZEMWKYON-UHFFFAOYSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine (CID 166963463) is 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine is C=C1CC=C(C2=NCC(C)CC2)CC1.
What is the InChIKey of 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is ONVUZBZEMWKYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h6,11H,1,3-5,7-9H2,2H3.
What are the key properties of 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine?
3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylidenecyclohexen-1-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 166963463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).