4-methoxyazepane

C7H15NO — CID 19600383

IUPAC4-methoxyazepane
SMILESCOC1CCCNCC1
InChIInChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKeyMBGKJOCBUBJWCC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds1

About 4-methoxyazepane

4-methoxyazepane (PubChem CID 19600383) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methoxyazepane.

Molecular Properties

Compound Name4-methoxyazepane
PubChem CID19600383
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methoxyazepane
SMILESCOC1CCCNCC1
InChIInChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKeyMBGKJOCBUBJWCC-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyazepane?
The IUPAC name of 4-methoxyazepane (CID 19600383) is 4-methoxyazepane.
What is the SMILES notation for 4-methoxyazepane?
The canonical SMILES for 4-methoxyazepane is COC1CCCNCC1.
What is the InChIKey of 4-methoxyazepane?
The InChIKey is MBGKJOCBUBJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 4-methoxyazepane?
4-methoxyazepane has a molecular weight of 129.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyazepane is sourced from PubChem (CID 19600383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).