1-methylazepan-3-ol

C7H15NO — CID 22636113

IUPAC1-methylazepan-3-ol
SMILESCN1CCCCC(O)C1
InChIInChI=1S/C7H15NO/c1-8-5-3-2-4-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyQIRIHMCWPZKHGZ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds

About 1-methylazepan-3-ol

1-methylazepan-3-ol (PubChem CID 22636113) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methylazepan-3-ol.

Molecular Properties

Compound Name1-methylazepan-3-ol
PubChem CID22636113
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methylazepan-3-ol
SMILESCN1CCCCC(O)C1
InChIInChI=1S/C7H15NO/c1-8-5-3-2-4-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyQIRIHMCWPZKHGZ-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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Related Compounds

1-(methoxymethyl)-2-methylpiperidine;1-methylpiperidin-3-ol
CID 159618122
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
CID 21128423
(4S)-1-methylazepan-4-ol
CID 29414429
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
1-iodoazepan-3-ol
CID 153050847
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-bromo-2-methoxyethane;(3R)-3-(2-methoxyethoxy)-1-methylpiperidine;(3R)-1-methylpiperidin-3-ol
CID 158848539
3-methyl-3-azabicyclo[10.1.0]tridecane
CID 91079408
(3R,4R)-1,3-dimethylazepan-4-ol
CID 54116719

Frequently Asked Questions

What is the IUPAC name of 1-methylazepan-3-ol?
The IUPAC name of 1-methylazepan-3-ol (CID 22636113) is 1-methylazepan-3-ol.
What is the SMILES notation for 1-methylazepan-3-ol?
The canonical SMILES for 1-methylazepan-3-ol is CN1CCCCC(O)C1.
What is the InChIKey of 1-methylazepan-3-ol?
The InChIKey is QIRIHMCWPZKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-5-3-2-4-7(9)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-methylazepan-3-ol?
1-methylazepan-3-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-3-ol is sourced from PubChem (CID 22636113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).