2,5,6-trimethyl-3,4-dihydropyridine

C8H13N — CID 88990187

IUPAC2,5,6-trimethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)CC1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4-5H2,1-3H3
InChIKeyLPNZTSWCLKJSQL-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds

About 2,5,6-trimethyl-3,4-dihydropyridine

2,5,6-trimethyl-3,4-dihydropyridine (PubChem CID 88990187) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,5,6-trimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,5,6-trimethyl-3,4-dihydropyridine
PubChem CID88990187
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,5,6-trimethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)CC1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4-5H2,1-3H3
InChIKeyLPNZTSWCLKJSQL-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3,4-dihydropyridine?
The IUPAC name of 2,5,6-trimethyl-3,4-dihydropyridine (CID 88990187) is 2,5,6-trimethyl-3,4-dihydropyridine.
What is the SMILES notation for 2,5,6-trimethyl-3,4-dihydropyridine?
The canonical SMILES for 2,5,6-trimethyl-3,4-dihydropyridine is CC1=NC(C)=C(C)CC1.
What is the InChIKey of 2,5,6-trimethyl-3,4-dihydropyridine?
The InChIKey is LPNZTSWCLKJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h4-5H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-3,4-dihydropyridine?
2,5,6-trimethyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3,4-dihydropyridine is sourced from PubChem (CID 88990187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).