6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride

C7H14ClN — CID 146082401

IUPAC6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride
SMILESCC1(C)CC=CCN1.Cl
InChIInChI=1S/C7H13N.ClH/c1-7(2)5-3-4-6-8-7;/h3-4,8H,5-6H2,1-2H3;1H
InChIKeyQJUGUKZICPPWEK-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.74
Rot. Bonds

About 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride

6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride (PubChem CID 146082401) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride
PubChem CID146082401
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride
SMILESCC1(C)CC=CCN1.Cl
InChIInChI=1S/C7H13N.ClH/c1-7(2)5-3-4-6-8-7;/h3-4,8H,5-6H2,1-2H3;1H
InChIKeyQJUGUKZICPPWEK-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride?
The IUPAC name of 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride (CID 146082401) is 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride is CC1(C)CC=CCN1.Cl.
What is the InChIKey of 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride?
The InChIKey is QJUGUKZICPPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-7(2)5-3-4-6-8-7;/h3-4,8H,5-6H2,1-2H3;1H.
What are the key properties of 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride?
6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride is sourced from PubChem (CID 146082401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).