2,7-dimethyl-1,4-oxazepane

C7H15NO — CID 117046196

IUPAC2,7-dimethyl-1,4-oxazepane
SMILESCC1CCNCC(C)O1
InChIInChI=1S/C7H15NO/c1-6-3-4-8-5-7(2)9-6/h6-8H,3-5H2,1-2H3
InChIKeyILHDWFNCSJCYQE-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds

About 2,7-dimethyl-1,4-oxazepane

2,7-dimethyl-1,4-oxazepane (PubChem CID 117046196) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,7-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name2,7-dimethyl-1,4-oxazepane
PubChem CID117046196
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,7-dimethyl-1,4-oxazepane
SMILESCC1CCNCC(C)O1
InChIInChI=1S/C7H15NO/c1-6-3-4-8-5-7(2)9-6/h6-8H,3-5H2,1-2H3
InChIKeyILHDWFNCSJCYQE-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 2,7-dimethyl-1,4-oxazepane?
The IUPAC name of 2,7-dimethyl-1,4-oxazepane (CID 117046196) is 2,7-dimethyl-1,4-oxazepane.
What is the SMILES notation for 2,7-dimethyl-1,4-oxazepane?
The canonical SMILES for 2,7-dimethyl-1,4-oxazepane is CC1CCNCC(C)O1.
What is the InChIKey of 2,7-dimethyl-1,4-oxazepane?
The InChIKey is ILHDWFNCSJCYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-3-4-8-5-7(2)9-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,4-oxazepane?
2,7-dimethyl-1,4-oxazepane has a molecular weight of 129.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,4-oxazepane is sourced from PubChem (CID 117046196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).