6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine

C12H21N — CID 123694477

IUPAC6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine
SMILESCC1=C(C(C)C)C(C(C)C)CC=N1
InChIInChI=1S/C12H21N/c1-8(2)11-6-7-13-10(5)12(11)9(3)4/h7-9,11H,6H2,1-5H3
InChIKeyWSJFLODDDOYMLK-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.66
Rot. Bonds2

About 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine

6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine (PubChem CID 123694477) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine
PubChem CID123694477
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine
SMILESCC1=C(C(C)C)C(C(C)C)CC=N1
InChIInChI=1S/C12H21N/c1-8(2)11-6-7-13-10(5)12(11)9(3)4/h7-9,11H,6H2,1-5H3
InChIKeyWSJFLODDDOYMLK-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
3-Butyl-5,6-ditert-butyl-3,4-dihydropyridine
CID 59105252
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
CID 60123254
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine;yttrium
CID 60123258
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
4-cyclopropyl-3,5-dimethyl-3H-pyrrole
CID 69174234
2,3,4,5,6-Pentamethyl-3,4-dihydropyridine
CID 72655828
6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 88563171

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine (CID 123694477) is 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine is CC1=C(C(C)C)C(C(C)C)CC=N1.
What is the InChIKey of 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine?
The InChIKey is WSJFLODDDOYMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)11-6-7-13-10(5)12(11)9(3)4/h7-9,11H,6H2,1-5H3.
What are the key properties of 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine?
6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-di(propan-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 123694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).