1,6,6-trimethyl-2,3-dihydropyridine

C8H15N — CID 20781118

IUPAC1,6,6-trimethyl-2,3-dihydropyridine
SMILESCN1CCC=CC1(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9(8)3/h4,6H,5,7H2,1-3H3
InChIKeyAGXJVIASQWYYGF-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds

About 1,6,6-trimethyl-2,3-dihydropyridine

1,6,6-trimethyl-2,3-dihydropyridine (PubChem CID 20781118) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,6,6-trimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1,6,6-trimethyl-2,3-dihydropyridine
PubChem CID20781118
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,6,6-trimethyl-2,3-dihydropyridine
SMILESCN1CCC=CC1(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9(8)3/h4,6H,5,7H2,1-3H3
InChIKeyAGXJVIASQWYYGF-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
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 1,6,6-trimethyl-2,3-dihydropyridine?
The IUPAC name of 1,6,6-trimethyl-2,3-dihydropyridine (CID 20781118) is 1,6,6-trimethyl-2,3-dihydropyridine.
What is the SMILES notation for 1,6,6-trimethyl-2,3-dihydropyridine?
The canonical SMILES for 1,6,6-trimethyl-2,3-dihydropyridine is CN1CCC=CC1(C)C.
What is the InChIKey of 1,6,6-trimethyl-2,3-dihydropyridine?
The InChIKey is AGXJVIASQWYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-5-7-9(8)3/h4,6H,5,7H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-2,3-dihydropyridine?
1,6,6-trimethyl-2,3-dihydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-2,3-dihydropyridine is sourced from PubChem (CID 20781118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).