3,4-dimethyl-2,5-dihydropyridin-6-amine

C7H12N2 — CID 55286282

IUPAC3,4-dimethyl-2,5-dihydropyridin-6-amine
SMILESCC1=C(C)CC(N)=NC1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3-4H2,1-2H3,(H2,8,9)
InChIKeyNTJGYDSOJVANNW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds

About 3,4-dimethyl-2,5-dihydropyridin-6-amine

3,4-dimethyl-2,5-dihydropyridin-6-amine (PubChem CID 55286282) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydropyridin-6-amine.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydropyridin-6-amine
PubChem CID55286282
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,4-dimethyl-2,5-dihydropyridin-6-amine
SMILESCC1=C(C)CC(N)=NC1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3-4H2,1-2H3,(H2,8,9)
InChIKeyNTJGYDSOJVANNW-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydropyridin-6-amine?
The IUPAC name of 3,4-dimethyl-2,5-dihydropyridin-6-amine (CID 55286282) is 3,4-dimethyl-2,5-dihydropyridin-6-amine.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydropyridin-6-amine?
The canonical SMILES for 3,4-dimethyl-2,5-dihydropyridin-6-amine is CC1=C(C)CC(N)=NC1.
What is the InChIKey of 3,4-dimethyl-2,5-dihydropyridin-6-amine?
The InChIKey is NTJGYDSOJVANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3,4-dimethyl-2,5-dihydropyridin-6-amine?
3,4-dimethyl-2,5-dihydropyridin-6-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydropyridin-6-amine is sourced from PubChem (CID 55286282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).