4H-azepin-7-amine

C6H8N2 — CID 54474925

IUPAC4H-azepin-7-amine
SMILESNC1=NC=CCC=C1
InChIInChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h2-5H,1H2,(H2,7,8)
InChIKeyXKXCRAIZRFTOMS-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.82
Rot. Bonds

About 4H-azepin-7-amine

4H-azepin-7-amine (PubChem CID 54474925) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4H-azepin-7-amine.

Molecular Properties

Compound Name4H-azepin-7-amine
PubChem CID54474925
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4H-azepin-7-amine
SMILESNC1=NC=CCC=C1
InChIInChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h2-5H,1H2,(H2,7,8)
InChIKeyXKXCRAIZRFTOMS-UHFFFAOYSA-N
XLogP0.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 4H-azepin-7-amine?
The IUPAC name of 4H-azepin-7-amine (CID 54474925) is 4H-azepin-7-amine.
What is the SMILES notation for 4H-azepin-7-amine?
The canonical SMILES for 4H-azepin-7-amine is NC1=NC=CCC=C1.
What is the InChIKey of 4H-azepin-7-amine?
The InChIKey is XKXCRAIZRFTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h2-5H,1H2,(H2,7,8).
What are the key properties of 4H-azepin-7-amine?
4H-azepin-7-amine has a molecular weight of 108.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-azepin-7-amine is sourced from PubChem (CID 54474925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).