azepane;hydrobromide

C6H14BrN — CID 70590728

IUPACazepane;hydrobromide
SMILESBr.C1CCCNCC1
InChIInChI=1S/C6H13N.BrH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H
InChIKeyWEJLATTZIPXNLF-UHFFFAOYSA-N
MW180.09 g/mol
LogP1.73
Rot. Bonds

About azepane;hydrobromide

azepane;hydrobromide (PubChem CID 70590728) has the molecular formula C6H14BrN and a molecular weight of 180.09 g/mol. Its IUPAC name is azepane;hydrobromide.

Molecular Properties

Compound Nameazepane;hydrobromide
PubChem CID70590728
Molecular FormulaC6H14BrN
Molecular Weight180.09 g/mol
Exact Mass179.03
IUPAC Nameazepane;hydrobromide
SMILESBr.C1CCCNCC1
InChIInChI=1S/C6H13N.BrH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H
InChIKeyWEJLATTZIPXNLF-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepane;hydrobromide?
The IUPAC name of azepane;hydrobromide (CID 70590728) is azepane;hydrobromide.
What is the SMILES notation for azepane;hydrobromide?
The canonical SMILES for azepane;hydrobromide is Br.C1CCCNCC1.
What is the InChIKey of azepane;hydrobromide?
The InChIKey is WEJLATTZIPXNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.BrH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H.
What are the key properties of azepane;hydrobromide?
azepane;hydrobromide has a molecular weight of 180.09 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;hydrobromide is sourced from PubChem (CID 70590728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).