4,5-diethyl-1,4-oxazepane

C9H19NO — CID 91279335

IUPAC4,5-diethyl-1,4-oxazepane
SMILESCCC1CCOCCN1CC
InChIInChI=1S/C9H19NO/c1-3-9-5-7-11-8-6-10(9)4-2/h9H,3-8H2,1-2H3
InChIKeyPRAARFKGOIAZQP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About 4,5-diethyl-1,4-oxazepane

4,5-diethyl-1,4-oxazepane (PubChem CID 91279335) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4,5-diethyl-1,4-oxazepane.

Molecular Properties

Compound Name4,5-diethyl-1,4-oxazepane
PubChem CID91279335
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4,5-diethyl-1,4-oxazepane
SMILESCCC1CCOCCN1CC
InChIInChI=1S/C9H19NO/c1-3-9-5-7-11-8-6-10(9)4-2/h9H,3-8H2,1-2H3
InChIKeyPRAARFKGOIAZQP-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,4-oxazepane?
The IUPAC name of 4,5-diethyl-1,4-oxazepane (CID 91279335) is 4,5-diethyl-1,4-oxazepane.
What is the SMILES notation for 4,5-diethyl-1,4-oxazepane?
The canonical SMILES for 4,5-diethyl-1,4-oxazepane is CCC1CCOCCN1CC.
What is the InChIKey of 4,5-diethyl-1,4-oxazepane?
The InChIKey is PRAARFKGOIAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9-5-7-11-8-6-10(9)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 4,5-diethyl-1,4-oxazepane?
4,5-diethyl-1,4-oxazepane has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,4-oxazepane is sourced from PubChem (CID 91279335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).