2H-azepin-7-amine

C6H8N2 — CID 18800627

IUPAC2H-azepin-7-amine
SMILESC1C=CC=CC(=N1)N
InChIInChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h1-4H,5H2,(H2,7,8)
InChIKeyHABLXMNQGLFHGZ-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.10
Rot. Bonds

About 2H-azepin-7-amine

2H-azepin-7-amine (PubChem CID 18800627) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2H-azepin-7-amine.

Molecular Properties

Compound Name2H-azepin-7-amine
PubChem CID18800627
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2H-azepin-7-amine
SMILESC1C=CC=CC(=N1)N
InChIInChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h1-4H,5H2,(H2,7,8)
InChIKeyHABLXMNQGLFHGZ-UHFFFAOYSA-N
XLogP0.10
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2H-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 2H-azepin-7-amine?
The IUPAC name of 2H-azepin-7-amine (CID 18800627) is 2H-azepin-7-amine.
What is the SMILES notation for 2H-azepin-7-amine?
The canonical SMILES for 2H-azepin-7-amine is C1C=CC=CC(=N1)N.
What is the InChIKey of 2H-azepin-7-amine?
The InChIKey is HABLXMNQGLFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h1-4H,5H2,(H2,7,8).
What are the key properties of 2H-azepin-7-amine?
2H-azepin-7-amine has a molecular weight of 108.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-azepin-7-amine is sourced from PubChem (CID 18800627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).