4-methoxy-1-methylazepane

C8H17NO — CID 22967045

IUPAC4-methoxy-1-methylazepane
SMILESCOC1CCCN(C)CC1
InChIInChI=1S/C8H17NO/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyAUSGLSWNYOQJRJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds1

About 4-methoxy-1-methylazepane

4-methoxy-1-methylazepane (PubChem CID 22967045) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methoxy-1-methylazepane.

Molecular Properties

Compound Name4-methoxy-1-methylazepane
PubChem CID22967045
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methoxy-1-methylazepane
SMILESCOC1CCCN(C)CC1
InChIInChI=1S/C8H17NO/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyAUSGLSWNYOQJRJ-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylazepane?
The IUPAC name of 4-methoxy-1-methylazepane (CID 22967045) is 4-methoxy-1-methylazepane.
What is the SMILES notation for 4-methoxy-1-methylazepane?
The canonical SMILES for 4-methoxy-1-methylazepane is COC1CCCN(C)CC1.
What is the InChIKey of 4-methoxy-1-methylazepane?
The InChIKey is AUSGLSWNYOQJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-6-3-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-1-methylazepane?
4-methoxy-1-methylazepane has a molecular weight of 143.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylazepane is sourced from PubChem (CID 22967045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).