5,6-dimethyl-2,3-dihydropyridine;ethane

C9H17N — CID 142828316

IUPAC5,6-dimethyl-2,3-dihydropyridine;ethane
SMILESCC.CC1=CCCN=C1C
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h4H,3,5H2,1-2H3;1-2H3
InChIKeyLKLIOLYPXOYRNT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds

About 5,6-dimethyl-2,3-dihydropyridine;ethane

5,6-dimethyl-2,3-dihydropyridine;ethane (PubChem CID 142828316) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydropyridine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydropyridine;ethane
PubChem CID142828316
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5,6-dimethyl-2,3-dihydropyridine;ethane
SMILESCC.CC1=CCCN=C1C
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h4H,3,5H2,1-2H3;1-2H3
InChIKeyLKLIOLYPXOYRNT-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
ethane;methanol;6-methyl-2,3-dihydropyridine
CID 145001211
N,N,6-trimethylcyclohexa-1,5-dien-1-amine
CID 91143349
8-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyrazine
CID 90412699
2-methyl-4,5-dihydropyrimidine
CID 68626206
5,6-diethyl-2,3-dihydropyridine
CID 90830451
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
ethane;1-methylcyclobutene
CID 91484029
N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine
CID 177046969
(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
CID 144929888
3,4-dimethyl-6H-oxazine
CID 144672235
ethane;2-[[4-[3-(6-methyl-2,3-dihydropyridin-5-yl)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]methyl]prop-2-enenitrile
CID 144523588

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydropyridine;ethane?
The IUPAC name of 5,6-dimethyl-2,3-dihydropyridine;ethane (CID 142828316) is 5,6-dimethyl-2,3-dihydropyridine;ethane.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydropyridine;ethane?
The canonical SMILES for 5,6-dimethyl-2,3-dihydropyridine;ethane is CC.CC1=CCCN=C1C.
What is the InChIKey of 5,6-dimethyl-2,3-dihydropyridine;ethane?
The InChIKey is LKLIOLYPXOYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h4H,3,5H2,1-2H3;1-2H3.
What are the key properties of 5,6-dimethyl-2,3-dihydropyridine;ethane?
5,6-dimethyl-2,3-dihydropyridine;ethane has a molecular weight of 139.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydropyridine;ethane is sourced from PubChem (CID 142828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).