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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Related Compounds

2,6-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145086520
2,4,5-trimethyl-3H-pyrrole
CID 9793719
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2,3,4-Triethylazete
CID 57185997
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
5-butyl-2,4-dimethyl-3H-pyrrole
CID 58851256

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).