1H-azepin-4-amine;dihydrochloride

C6H10Cl2N2 — CID 69150268

IUPAC1H-azepin-4-amine;dihydrochloride
SMILESCl.Cl.NC1=CC=CNC=C1
InChIInChI=1S/C6H8N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h1-5,8H,7H2;2*1H
InChIKeyPEAQIGPGLJCIHT-UHFFFAOYSA-N
MW181.07 g/mol
LogP1.30
Rot. Bonds

About 1H-azepin-4-amine;dihydrochloride

1H-azepin-4-amine;dihydrochloride (PubChem CID 69150268) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is 1H-azepin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1H-azepin-4-amine;dihydrochloride
PubChem CID69150268
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Name1H-azepin-4-amine;dihydrochloride
SMILESCl.Cl.NC1=CC=CNC=C1
InChIInChI=1S/C6H8N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h1-5,8H,7H2;2*1H
InChIKeyPEAQIGPGLJCIHT-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-azepin-4-amine;dihydrochloride 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 1H-azepin-4-amine;dihydrochloride?
The IUPAC name of 1H-azepin-4-amine;dihydrochloride (CID 69150268) is 1H-azepin-4-amine;dihydrochloride.
What is the SMILES notation for 1H-azepin-4-amine;dihydrochloride?
The canonical SMILES for 1H-azepin-4-amine;dihydrochloride is Cl.Cl.NC1=CC=CNC=C1.
What is the InChIKey of 1H-azepin-4-amine;dihydrochloride?
The InChIKey is PEAQIGPGLJCIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h1-5,8H,7H2;2*1H.
What are the key properties of 1H-azepin-4-amine;dihydrochloride?
1H-azepin-4-amine;dihydrochloride has a molecular weight of 181.07 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-4-amine;dihydrochloride is sourced from PubChem (CID 69150268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).