3,3-dimethyl-4,5-dihydro-2H-pyridine

C7H13N — CID 123320583

IUPAC3,3-dimethyl-4,5-dihydro-2H-pyridine
SMILESCC1(C)CCC=NC1
InChIInChI=1S/C7H13N/c1-7(2)4-3-5-8-6-7/h5H,3-4,6H2,1-2H3
InChIKeyLUUALLIYLUXQTD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.88
Rot. Bonds

About 3,3-dimethyl-4,5-dihydro-2H-pyridine

3,3-dimethyl-4,5-dihydro-2H-pyridine (PubChem CID 123320583) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3,3-dimethyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-4,5-dihydro-2H-pyridine
PubChem CID123320583
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3,3-dimethyl-4,5-dihydro-2H-pyridine
SMILESCC1(C)CCC=NC1
InChIInChI=1S/C7H13N/c1-7(2)4-3-5-8-6-7/h5H,3-4,6H2,1-2H3
InChIKeyLUUALLIYLUXQTD-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,5-dihydro-2H-pyridine?
The IUPAC name of 3,3-dimethyl-4,5-dihydro-2H-pyridine (CID 123320583) is 3,3-dimethyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 3,3-dimethyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for 3,3-dimethyl-4,5-dihydro-2H-pyridine is CC1(C)CCC=NC1.
What is the InChIKey of 3,3-dimethyl-4,5-dihydro-2H-pyridine?
The InChIKey is LUUALLIYLUXQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)4-3-5-8-6-7/h5H,3-4,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,5-dihydro-2H-pyridine?
3,3-dimethyl-4,5-dihydro-2H-pyridine has a molecular weight of 111.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 123320583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).