3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

C6H13ClN2 — CID 12778910

IUPAC3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCl.NC1=NCCCCC1
InChIInChI=1S/C6H12N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5H2,(H2,7,8);1H
InChIKeyQYMDLBQFLKOPGW-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.34
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 12778910) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID12778910
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCl.NC1=NCCCCC1
InChIInChI=1S/C6H12N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5H2,(H2,7,8);1H
InChIKeyQYMDLBQFLKOPGW-UHFFFAOYSA-N
XLogP1.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride 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 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 12778910) is 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is Cl.NC1=NCCCCC1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is QYMDLBQFLKOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5H2,(H2,7,8);1H.
What are the key properties of 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 12778910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).