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

C9H17N — CID 156706966

IUPAC2,6-dimethyl-2,3-dihydropyridine;ethane
SMILESCC.CC1=NC(C)CC=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-4,7H,5H2,1-2H3;1-2H3
InChIKeyNVSKNTOBLHHAJY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds

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

2,6-dimethyl-2,3-dihydropyridine;ethane (PubChem CID 156706966) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydropyridine;ethane.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydropyridine;ethane
PubChem CID156706966
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,6-dimethyl-2,3-dihydropyridine;ethane
SMILESCC.CC1=NC(C)CC=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-4,7H,5H2,1-2H3;1-2H3
InChIKeyNVSKNTOBLHHAJY-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydropyridine;ethane?
The IUPAC name of 2,6-dimethyl-2,3-dihydropyridine;ethane (CID 156706966) is 2,6-dimethyl-2,3-dihydropyridine;ethane.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydropyridine;ethane?
The canonical SMILES for 2,6-dimethyl-2,3-dihydropyridine;ethane is CC.CC1=NC(C)CC=C1.
What is the InChIKey of 2,6-dimethyl-2,3-dihydropyridine;ethane?
The InChIKey is NVSKNTOBLHHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-4-3-5-7(2)8-6;1-2/h3-4,7H,5H2,1-2H3;1-2H3.
What are the key properties of 2,6-dimethyl-2,3-dihydropyridine;ethane?
2,6-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 2,6-dimethyl-2,3-dihydropyridine;ethane is sourced from PubChem (CID 156706966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).