1,4-dimethyl-3,6-dihydro-2H-pyridine

C7H13N — CID 11389372

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C)CC1
InChIInChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h3H,4-6H2,1-2H3
InChIKeyRRXMFAUGACOEAH-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine

1,4-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 11389372) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID11389372
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C)CC1
InChIInChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h3H,4-6H2,1-2H3
InChIKeyRRXMFAUGACOEAH-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
4-Ethynyl-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10443130
1-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 55283731
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine (CID 11389372) is 1,4-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine is CC1=CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is RRXMFAUGACOEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h3H,4-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine?
1,4-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11389372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).