azepan-2-ylmethanol

C7H15NO — CID 2849412

IUPACazepan-2-ylmethanol
SMILESOCC1CCCCCN1
InChIInChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2
InChIKeySAHMJQZPPPFESV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds1

About azepan-2-ylmethanol

azepan-2-ylmethanol (PubChem CID 2849412) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is azepan-2-ylmethanol.

Molecular Properties

Compound Nameazepan-2-ylmethanol
PubChem CID2849412
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameazepan-2-ylmethanol
SMILESOCC1CCCCCN1
InChIInChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2
InChIKeySAHMJQZPPPFESV-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-2-ylmethanol?
The IUPAC name of azepan-2-ylmethanol (CID 2849412) is azepan-2-ylmethanol.
What is the SMILES notation for azepan-2-ylmethanol?
The canonical SMILES for azepan-2-ylmethanol is OCC1CCCCCN1.
What is the InChIKey of azepan-2-ylmethanol?
The InChIKey is SAHMJQZPPPFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2.
What are the key properties of azepan-2-ylmethanol?
azepan-2-ylmethanol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-ylmethanol is sourced from PubChem (CID 2849412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).