5-methyl-4H-azepin-7-amine

C7H10N2 — CID 123759208

IUPAC5-methyl-4H-azepin-7-amine
SMILESCC1=CC(N)=NC=CC1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2,4-5H,3H2,1H3,(H2,8,9)
InChIKeyZXTYYTKCFHHHDV-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.21
Rot. Bonds

About 5-methyl-4H-azepin-7-amine

5-methyl-4H-azepin-7-amine (PubChem CID 123759208) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-methyl-4H-azepin-7-amine.

Molecular Properties

Compound Name5-methyl-4H-azepin-7-amine
PubChem CID123759208
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-methyl-4H-azepin-7-amine
SMILESCC1=CC(N)=NC=CC1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2,4-5H,3H2,1H3,(H2,8,9)
InChIKeyZXTYYTKCFHHHDV-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4H-azepin-7-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 5-methyl-4H-azepin-7-amine?
The IUPAC name of 5-methyl-4H-azepin-7-amine (CID 123759208) is 5-methyl-4H-azepin-7-amine.
What is the SMILES notation for 5-methyl-4H-azepin-7-amine?
The canonical SMILES for 5-methyl-4H-azepin-7-amine is CC1=CC(N)=NC=CC1.
What is the InChIKey of 5-methyl-4H-azepin-7-amine?
The InChIKey is ZXTYYTKCFHHHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2,4-5H,3H2,1H3,(H2,8,9).
What are the key properties of 5-methyl-4H-azepin-7-amine?
5-methyl-4H-azepin-7-amine has a molecular weight of 122.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-azepin-7-amine is sourced from PubChem (CID 123759208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).