4-methoxyazepane;hydrochloride

C7H16ClNO — CID 74889941

IUPAC4-methoxyazepane;hydrochloride
SMILESCOC1CCCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyQTGHAOUGNODJQR-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.20
Rot. Bonds1

About 4-methoxyazepane;hydrochloride

4-methoxyazepane;hydrochloride (PubChem CID 74889941) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 4-methoxyazepane;hydrochloride.

Molecular Properties

Compound Name4-methoxyazepane;hydrochloride
PubChem CID74889941
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name4-methoxyazepane;hydrochloride
SMILESCOC1CCCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-9-7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyQTGHAOUGNODJQR-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxyazepane;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 4-methoxyazepane;hydrochloride?
The IUPAC name of 4-methoxyazepane;hydrochloride (CID 74889941) is 4-methoxyazepane;hydrochloride.
What is the SMILES notation for 4-methoxyazepane;hydrochloride?
The canonical SMILES for 4-methoxyazepane;hydrochloride is COC1CCCNCC1.Cl.
What is the InChIKey of 4-methoxyazepane;hydrochloride?
The InChIKey is QTGHAOUGNODJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-9-7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-methoxyazepane;hydrochloride?
4-methoxyazepane;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyazepane;hydrochloride is sourced from PubChem (CID 74889941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).