4-imino-5-methyl-3,5-dihydroazepin-2-amine

C7H11N3 — CID 123593856

IUPAC4-imino-5-methyl-3,5-dihydroazepin-2-amine
SMILES[H]/N=C1\CC(N)=NC=CC1C
InChIInChI=1S/C7H11N3/c1-5-2-3-10-7(9)4-6(5)8/h2-3,5,8H,4H2,1H3,(H2,9,10)/b8-6+
InChIKeyXNLGHSBZUCMAGS-SOFGYWHQSA-N
MW137.19 g/mol
LogP0.92
Rot. Bonds

About 4-imino-5-methyl-3,5-dihydroazepin-2-amine

4-imino-5-methyl-3,5-dihydroazepin-2-amine (PubChem CID 123593856) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-imino-5-methyl-3,5-dihydroazepin-2-amine.

Molecular Properties

Compound Name4-imino-5-methyl-3,5-dihydroazepin-2-amine
PubChem CID123593856
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-imino-5-methyl-3,5-dihydroazepin-2-amine
SMILES[H]/N=C1\CC(N)=NC=CC1C
InChIInChI=1S/C7H11N3/c1-5-2-3-10-7(9)4-6(5)8/h2-3,5,8H,4H2,1H3,(H2,9,10)/b8-6+
InChIKeyXNLGHSBZUCMAGS-SOFGYWHQSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-imino-5-methyl-3,5-dihydroazepin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-methyl-3,5-dihydroazepin-2-amine?
The IUPAC name of 4-imino-5-methyl-3,5-dihydroazepin-2-amine (CID 123593856) is 4-imino-5-methyl-3,5-dihydroazepin-2-amine.
What is the SMILES notation for 4-imino-5-methyl-3,5-dihydroazepin-2-amine?
The canonical SMILES for 4-imino-5-methyl-3,5-dihydroazepin-2-amine is [H]/N=C1\CC(N)=NC=CC1C.
What is the InChIKey of 4-imino-5-methyl-3,5-dihydroazepin-2-amine?
The InChIKey is XNLGHSBZUCMAGS-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-2-3-10-7(9)4-6(5)8/h2-3,5,8H,4H2,1H3,(H2,9,10)/b8-6+.
What are the key properties of 4-imino-5-methyl-3,5-dihydroazepin-2-amine?
4-imino-5-methyl-3,5-dihydroazepin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-methyl-3,5-dihydroazepin-2-amine is sourced from PubChem (CID 123593856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).