3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine

C₉H₁₄N₂ — CID 123487505

About 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine

3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine (PubChem CID 123487505) has the molecular formula C₉H₁₄N₂ and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine.

Molecular Properties

• Compound Name: 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
• PubChem CID: 123487505
• Molecular Formula: C₉H₁₄N₂
• Molecular Weight: 150.22 g/mol
• Exact Mass: 150.12
• IUPAC Name: 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
• SMILES: C=C1C=C(C)CC(C)C(N)=N1
• InChI: InChI=1S/C9H14N2/c1-6-4-7(2)9(10)11-8(3)5-6/h5,7H,3-4H2,1-2H3,(H2,10,11)
• InChIKey: YJMLUYPXYHCRNC-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.22
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?

The IUPAC name of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine (CID 123487505) is 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine.

What is the SMILES notation for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?

The canonical SMILES for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine is C=C1C=C(C)CC(C)C(N)=N1.

What is the InChIKey of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?

The InChIKey is YJMLUYPXYHCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-4-7(2)9(10)11-8(3)5-6/h5,7H,3-4H2,1-2H3,(H2,10,11).

What are the key properties of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?

3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine is sourced from PubChem (CID 123487505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123487505 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.