3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine

C10H17N — CID 123239018

IUPAC3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine
SMILESCC1=NC(C(C)C)C(C)C=C1
InChIInChI=1S/C10H17N/c1-7(2)10-8(3)5-6-9(4)11-10/h5-8,10H,1-4H3
InChIKeyOAGKWMFFXRNJLT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds1

About 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine

3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine (PubChem CID 123239018) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine
PubChem CID123239018
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine
SMILESCC1=NC(C(C)C)C(C)C=C1
InChIInChI=1S/C10H17N/c1-7(2)10-8(3)5-6-9(4)11-10/h5-8,10H,1-4H3
InChIKeyOAGKWMFFXRNJLT-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-Bis-(1,3-dimethyl-butylimino)-cyclohexa-1,4-diene
CID 22617220
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
2,3-Dimethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 137314924
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
3-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 144060454
2,6-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 162550135
7,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 20067303
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
(2Z)-2-(2-methylpropylidene)-N-propan-2-ylcyclohexan-1-imine
CID 58375620
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine (CID 123239018) is 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine is CC1=NC(C(C)C)C(C)C=C1.
What is the InChIKey of 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine?
The InChIKey is OAGKWMFFXRNJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)10-8(3)5-6-9(4)11-10/h5-8,10H,1-4H3.
What are the key properties of 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine?
3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 123239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).