4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride

C12H20ClN — CID 16956080

IUPAC4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC=CCC1C=C(C)CC(CC=C)N1.Cl
InChIInChI=1S/C12H19N.ClH/c1-4-6-11-8-10(3)9-12(13-11)7-5-2;/h4-5,8,11-13H,1-2,6-7,9H2,3H3;1H
InChIKeyUIYVFONBMVMYTN-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride

4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 16956080) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID16956080
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC=CCC1C=C(C)CC(CC=C)N1.Cl
InChIInChI=1S/C12H19N.ClH/c1-4-6-11-8-10(3)9-12(13-11)7-5-2;/h4-5,8,11-13H,1-2,6-7,9H2,3H3;1H
InChIKeyUIYVFONBMVMYTN-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 16956080) is 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride is C=CCC1C=C(C)CC(CC=C)N1.Cl.
What is the InChIKey of 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is UIYVFONBMVMYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-4-6-11-8-10(3)9-12(13-11)7-5-2;/h4-5,8,11-13H,1-2,6-7,9H2,3H3;1H.
What are the key properties of 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 16956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).