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

C8H13N — CID 77393437

IUPAC2,3,6-trimethyl-3,4-dihydropyridine
SMILESCC1=CCC(C)C(C)=N1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h5-6H,4H2,1-3H3
InChIKeyQZNVPGIHRJORMV-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds

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

2,3,6-trimethyl-3,4-dihydropyridine (PubChem CID 77393437) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3,6-trimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3,6-trimethyl-3,4-dihydropyridine
PubChem CID77393437
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3,6-trimethyl-3,4-dihydropyridine
SMILESCC1=CCC(C)C(C)=N1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h5-6H,4H2,1-3H3
InChIKeyQZNVPGIHRJORMV-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
CID 170790101
2,4,7-trimethyl-3-(3-methylbutyl)-4,5-dihydro-3H-azepine
CID 129305873
(3S)-3,6-dimethyl-3,4-dihydropyridazine
CID 67991670
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
(4S)-4-methylcyclobuten-1-amine
CID 164996658
CID 174065515
CID 174065515
2-N,2-N,6-N,6-N,3-pentamethyl-3,4-dihydropyridine-2,6-diamine
CID 139544197
(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine
CID 144723500
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile
CID 144779752
2,3,4,7-tetramethyl-3H-azepine
CID 147408067
(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
CID 145266562

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-3,4-dihydropyridine?
The IUPAC name of 2,3,6-trimethyl-3,4-dihydropyridine (CID 77393437) is 2,3,6-trimethyl-3,4-dihydropyridine.
What is the SMILES notation for 2,3,6-trimethyl-3,4-dihydropyridine?
The canonical SMILES for 2,3,6-trimethyl-3,4-dihydropyridine is CC1=CCC(C)C(C)=N1.
What is the InChIKey of 2,3,6-trimethyl-3,4-dihydropyridine?
The InChIKey is QZNVPGIHRJORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h5-6H,4H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-3,4-dihydropyridine?
2,3,6-trimethyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-3,4-dihydropyridine is sourced from PubChem (CID 77393437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).