azepan-4-amine;dihydrochloride

C6H16Cl2N2 — CID 118989390

IUPACazepan-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCCNCC1
InChIInChI=1S/C6H14N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h6,8H,1-5,7H2;2*1H
InChIKeyRDKLQYOTHCHRPQ-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.93
Rot. Bonds

About azepan-4-amine;dihydrochloride

azepan-4-amine;dihydrochloride (PubChem CID 118989390) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is azepan-4-amine;dihydrochloride.

Molecular Properties

Compound Nameazepan-4-amine;dihydrochloride
PubChem CID118989390
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Nameazepan-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCCNCC1
InChIInChI=1S/C6H14N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h6,8H,1-5,7H2;2*1H
InChIKeyRDKLQYOTHCHRPQ-UHFFFAOYSA-N
XLogP0.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azepan-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 azepan-4-amine;dihydrochloride?
The IUPAC name of azepan-4-amine;dihydrochloride (CID 118989390) is azepan-4-amine;dihydrochloride.
What is the SMILES notation for azepan-4-amine;dihydrochloride?
The canonical SMILES for azepan-4-amine;dihydrochloride is Cl.Cl.NC1CCCNCC1.
What is the InChIKey of azepan-4-amine;dihydrochloride?
The InChIKey is RDKLQYOTHCHRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c7-6-2-1-4-8-5-3-6;;/h6,8H,1-5,7H2;2*1H.
What are the key properties of azepan-4-amine;dihydrochloride?
azepan-4-amine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-amine;dihydrochloride is sourced from PubChem (CID 118989390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).