azepan-4-ylmethanol

C7H15NO — CID 22594076

IUPACazepan-4-ylmethanol
SMILESOCC1CCCNCC1
InChIInChI=1S/C7H15NO/c9-6-7-2-1-4-8-5-3-7/h7-9H,1-6H2
InChIKeyICMFRWRTMCSQFV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.37
Rot. Bonds1

About azepan-4-ylmethanol

azepan-4-ylmethanol (PubChem CID 22594076) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is azepan-4-ylmethanol.

Molecular Properties

Compound Nameazepan-4-ylmethanol
PubChem CID22594076
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameazepan-4-ylmethanol
SMILESOCC1CCCNCC1
InChIInChI=1S/C7H15NO/c9-6-7-2-1-4-8-5-3-7/h7-9H,1-6H2
InChIKeyICMFRWRTMCSQFV-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-4-ylmethanol?
The IUPAC name of azepan-4-ylmethanol (CID 22594076) is azepan-4-ylmethanol.
What is the SMILES notation for azepan-4-ylmethanol?
The canonical SMILES for azepan-4-ylmethanol is OCC1CCCNCC1.
What is the InChIKey of azepan-4-ylmethanol?
The InChIKey is ICMFRWRTMCSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c9-6-7-2-1-4-8-5-3-7/h7-9H,1-6H2.
What are the key properties of azepan-4-ylmethanol?
azepan-4-ylmethanol has a molecular weight of 129.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-ylmethanol is sourced from PubChem (CID 22594076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).