azepane;hydrochloride

C6H14ClN — CID 11971665

IUPACazepane;hydrochloride
SMILESC1CCCNCC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H
InChIKeyGCGYREODZIZPLJ-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.57
Rot. Bonds

About azepane;hydrochloride

azepane;hydrochloride (PubChem CID 11971665) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is azepane;hydrochloride.

Molecular Properties

Compound Nameazepane;hydrochloride
PubChem CID11971665
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Nameazepane;hydrochloride
SMILESC1CCCNCC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H
InChIKeyGCGYREODZIZPLJ-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepane;hydrochloride?
The IUPAC name of azepane;hydrochloride (CID 11971665) is azepane;hydrochloride.
What is the SMILES notation for azepane;hydrochloride?
The canonical SMILES for azepane;hydrochloride is C1CCCNCC1.Cl.
What is the InChIKey of azepane;hydrochloride?
The InChIKey is GCGYREODZIZPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-2-4-6-7-5-3-1;/h7H,1-6H2;1H.
What are the key properties of azepane;hydrochloride?
azepane;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;hydrochloride is sourced from PubChem (CID 11971665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).