3,4,5-trimethyl-3,4-dihydropyridine

C8H13N — CID 123968427

IUPAC3,4,5-trimethyl-3,4-dihydropyridine
SMILESCC1=CN=CC(C)C1C
InChIInChI=1S/C8H13N/c1-6-4-9-5-7(2)8(6)3/h4-6,8H,1-3H3
InChIKeySLFXEBZBMDEIFX-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.25
Rot. Bonds

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

3,4,5-trimethyl-3,4-dihydropyridine (PubChem CID 123968427) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,4,5-trimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,4,5-trimethyl-3,4-dihydropyridine
PubChem CID123968427
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,4,5-trimethyl-3,4-dihydropyridine
SMILESCC1=CN=CC(C)C1C
InChIInChI=1S/C8H13N/c1-6-4-9-5-7(2)8(6)3/h4-6,8H,1-3H3
InChIKeySLFXEBZBMDEIFX-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-3,4-dihydropyridine?
The IUPAC name of 3,4,5-trimethyl-3,4-dihydropyridine (CID 123968427) is 3,4,5-trimethyl-3,4-dihydropyridine.
What is the SMILES notation for 3,4,5-trimethyl-3,4-dihydropyridine?
The canonical SMILES for 3,4,5-trimethyl-3,4-dihydropyridine is CC1=CN=CC(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-3,4-dihydropyridine?
The InChIKey is SLFXEBZBMDEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-9-5-7(2)8(6)3/h4-6,8H,1-3H3.
What are the key properties of 3,4,5-trimethyl-3,4-dihydropyridine?
3,4,5-trimethyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-3,4-dihydropyridine is sourced from PubChem (CID 123968427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).