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

C7H13N — CID 565854

IUPAC1,2-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1CC=CCN1C
InChIInChI=1S/C7H13N/c1-7-5-3-4-6-8(7)2/h3-4,7H,5-6H2,1-2H3
InChIKeyCNUHMPWMVDJTSL-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds

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

1,2-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 565854) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,2-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID565854
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,2-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1CC=CCN1C
InChIInChI=1S/C7H13N/c1-7-5-3-4-6-8(7)2/h3-4,7H,5-6H2,1-2H3
InChIKeyCNUHMPWMVDJTSL-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2-dimethyl-3,6-dihydro-2H-pyridine (CID 565854) is 1,2-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2-dimethyl-3,6-dihydro-2H-pyridine is CC1CC=CCN1C.
What is the InChIKey of 1,2-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is CNUHMPWMVDJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-5-3-4-6-8(7)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,6-dihydro-2H-pyridine?
1,2-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 1,2-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 565854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).