4-methylazepan-4-ol;hydrochloride

C7H16ClNO — CID 66653249

IUPAC4-methylazepan-4-ol;hydrochloride
SMILESCC1(O)CCCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(9)3-2-5-8-6-4-7;/h8-9H,2-6H2,1H3;1H
InChIKeyWXKBXRNNRPFFKO-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds

About 4-methylazepan-4-ol;hydrochloride

4-methylazepan-4-ol;hydrochloride (PubChem CID 66653249) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 4-methylazepan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-methylazepan-4-ol;hydrochloride
PubChem CID66653249
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name4-methylazepan-4-ol;hydrochloride
SMILESCC1(O)CCCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(9)3-2-5-8-6-4-7;/h8-9H,2-6H2,1H3;1H
InChIKeyWXKBXRNNRPFFKO-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methylazepan-4-ol;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-methylazepan-4-ol;hydrochloride?
The IUPAC name of 4-methylazepan-4-ol;hydrochloride (CID 66653249) is 4-methylazepan-4-ol;hydrochloride.
What is the SMILES notation for 4-methylazepan-4-ol;hydrochloride?
The canonical SMILES for 4-methylazepan-4-ol;hydrochloride is CC1(O)CCCNCC1.Cl.
What is the InChIKey of 4-methylazepan-4-ol;hydrochloride?
The InChIKey is WXKBXRNNRPFFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(9)3-2-5-8-6-4-7;/h8-9H,2-6H2,1H3;1H.
What are the key properties of 4-methylazepan-4-ol;hydrochloride?
4-methylazepan-4-ol;hydrochloride has a molecular weight of 165.66 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 4-methylazepan-4-ol;hydrochloride is sourced from PubChem (CID 66653249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).