1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride

C10H20ClN — CID 3048403

IUPAC1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride
SMILESCN1C(C)(C)C=CCC1(C)C.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)7-6-8-10(3,4)11(9)5;/h6-7H,8H2,1-5H3;1H
InChIKeyUGUMCNIIYIEDHX-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.86
Rot. Bonds

About 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride

1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride (PubChem CID 3048403) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride
PubChem CID3048403
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride
SMILESCN1C(C)(C)C=CCC1(C)C.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)7-6-8-10(3,4)11(9)5;/h6-7H,8H2,1-5H3;1H
InChIKeyUGUMCNIIYIEDHX-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.86
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 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride?
The IUPAC name of 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride (CID 3048403) is 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride?
The canonical SMILES for 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride is CN1C(C)(C)C=CCC1(C)C.Cl.
What is the InChIKey of 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride?
The InChIKey is UGUMCNIIYIEDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-9(2)7-6-8-10(3,4)11(9)5;/h6-7H,8H2,1-5H3;1H.
What are the key properties of 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride?
1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-3H-pyridine;hydrochloride is sourced from PubChem (CID 3048403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).