1-methylazepan-4-ol

C7H15NO — CID 10975509

IUPAC1-methylazepan-4-ol
SMILESCN1CCCC(O)CC1
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3
InChIKeyGLXOHWLGZMRLRM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds

About 1-methylazepan-4-ol

1-methylazepan-4-ol (PubChem CID 10975509) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methylazepan-4-ol.

Molecular Properties

Compound Name1-methylazepan-4-ol
PubChem CID10975509
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methylazepan-4-ol
SMILESCN1CCCC(O)CC1
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3
InChIKeyGLXOHWLGZMRLRM-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazepan-4-ol?
The IUPAC name of 1-methylazepan-4-ol (CID 10975509) is 1-methylazepan-4-ol.
What is the SMILES notation for 1-methylazepan-4-ol?
The canonical SMILES for 1-methylazepan-4-ol is CN1CCCC(O)CC1.
What is the InChIKey of 1-methylazepan-4-ol?
The InChIKey is GLXOHWLGZMRLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-methylazepan-4-ol?
1-methylazepan-4-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepan-4-ol is sourced from PubChem (CID 10975509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).