3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride

C7H14ClN — CID 91654411

IUPAC3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=CC(C)CNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-6-3-7(2)5-8-4-6;/h3,6,8H,4-5H2,1-2H3;1H
InChIKeyQWACEVANNOEHAJ-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.59
Rot. Bonds

About 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride

3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 91654411) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID91654411
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=CC(C)CNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-6-3-7(2)5-8-4-6;/h3,6,8H,4-5H2,1-2H3;1H
InChIKeyQWACEVANNOEHAJ-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.59
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 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride (CID 91654411) is 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride is CC1=CC(C)CNC1.Cl.
What is the InChIKey of 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is QWACEVANNOEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-6-3-7(2)5-8-4-6;/h3,6,8H,4-5H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride?
3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 91654411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).