1-(azepan-2-yl)ethanol

C8H17NO — CID 23087470

IUPAC1-(azepan-2-yl)ethanol
SMILESCC(O)C1CCCCCN1
InChIInChI=1S/C8H17NO/c1-7(10)8-5-3-2-4-6-9-8/h7-10H,2-6H2,1H3
InChIKeyMCOSTSYRGWUORC-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds1

About 1-(azepan-2-yl)ethanol

1-(azepan-2-yl)ethanol (PubChem CID 23087470) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(azepan-2-yl)ethanol.

Molecular Properties

Compound Name1-(azepan-2-yl)ethanol
PubChem CID23087470
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(azepan-2-yl)ethanol
SMILESCC(O)C1CCCCCN1
InChIInChI=1S/C8H17NO/c1-7(10)8-5-3-2-4-6-9-8/h7-10H,2-6H2,1H3
InChIKeyMCOSTSYRGWUORC-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)ethanol?
The IUPAC name of 1-(azepan-2-yl)ethanol (CID 23087470) is 1-(azepan-2-yl)ethanol.
What is the SMILES notation for 1-(azepan-2-yl)ethanol?
The canonical SMILES for 1-(azepan-2-yl)ethanol is CC(O)C1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)ethanol?
The InChIKey is MCOSTSYRGWUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)8-5-3-2-4-6-9-8/h7-10H,2-6H2,1H3.
What are the key properties of 1-(azepan-2-yl)ethanol?
1-(azepan-2-yl)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)ethanol is sourced from PubChem (CID 23087470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).