4,6-dimethyl-1,2-dihydropyridine

C7H11N — CID 89141382

IUPAC4,6-dimethyl-1,2-dihydropyridine
SMILESCC1=CCNC(C)=C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3,5,8H,4H2,1-2H3
InChIKeyDWRNIVDLSIVSIF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.44
Rot. Bonds

About 4,6-dimethyl-1,2-dihydropyridine

4,6-dimethyl-1,2-dihydropyridine (PubChem CID 89141382) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4,6-dimethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4,6-dimethyl-1,2-dihydropyridine
PubChem CID89141382
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4,6-dimethyl-1,2-dihydropyridine
SMILESCC1=CCNC(C)=C1
InChIInChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3,5,8H,4H2,1-2H3
InChIKeyDWRNIVDLSIVSIF-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2-dihydropyridine?
The IUPAC name of 4,6-dimethyl-1,2-dihydropyridine (CID 89141382) is 4,6-dimethyl-1,2-dihydropyridine.
What is the SMILES notation for 4,6-dimethyl-1,2-dihydropyridine?
The canonical SMILES for 4,6-dimethyl-1,2-dihydropyridine is CC1=CCNC(C)=C1.
What is the InChIKey of 4,6-dimethyl-1,2-dihydropyridine?
The InChIKey is DWRNIVDLSIVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-8-7(2)5-6/h3,5,8H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,2-dihydropyridine?
4,6-dimethyl-1,2-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2-dihydropyridine is sourced from PubChem (CID 89141382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).