6-methylazepan-4-ol

C7H15NO — CID 86686497

IUPAC6-methylazepan-4-ol
SMILESCC1CNCCC(O)C1
InChIInChI=1S/C7H15NO/c1-6-4-7(9)2-3-8-5-6/h6-9H,2-5H2,1H3
InChIKeyBRTHDWOYSPJQCA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.37
Rot. Bonds

About 6-methylazepan-4-ol

6-methylazepan-4-ol (PubChem CID 86686497) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 6-methylazepan-4-ol.

Molecular Properties

Compound Name6-methylazepan-4-ol
PubChem CID86686497
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name6-methylazepan-4-ol
SMILESCC1CNCCC(O)C1
InChIInChI=1S/C7H15NO/c1-6-4-7(9)2-3-8-5-6/h6-9H,2-5H2,1H3
InChIKeyBRTHDWOYSPJQCA-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylazepan-4-ol?
The IUPAC name of 6-methylazepan-4-ol (CID 86686497) is 6-methylazepan-4-ol.
What is the SMILES notation for 6-methylazepan-4-ol?
The canonical SMILES for 6-methylazepan-4-ol is CC1CNCCC(O)C1.
What is the InChIKey of 6-methylazepan-4-ol?
The InChIKey is BRTHDWOYSPJQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-7(9)2-3-8-5-6/h6-9H,2-5H2,1H3.
What are the key properties of 6-methylazepan-4-ol?
6-methylazepan-4-ol has a molecular weight of 129.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylazepan-4-ol is sourced from PubChem (CID 86686497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).