4,5-dimethyl-1,4-oxazepane;ethane

C9H21NO — CID 163257636

IUPAC4,5-dimethyl-1,4-oxazepane;ethane
SMILESCC.CC1CCOCCN1C
InChIInChI=1S/C7H15NO.C2H6/c1-7-3-5-9-6-4-8(7)2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyONFWKXIHVSROAF-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds

About 4,5-dimethyl-1,4-oxazepane;ethane

4,5-dimethyl-1,4-oxazepane;ethane (PubChem CID 163257636) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4,5-dimethyl-1,4-oxazepane;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1,4-oxazepane;ethane
PubChem CID163257636
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4,5-dimethyl-1,4-oxazepane;ethane
SMILESCC.CC1CCOCCN1C
InChIInChI=1S/C7H15NO.C2H6/c1-7-3-5-9-6-4-8(7)2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyONFWKXIHVSROAF-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669
ethane;4-methylmorpholine
CID 54432133
(3R)-3,4-dimethyl-1,4-oxazepane;ethane
CID 178147511
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
1-methyl-2-(oxan-4-yl)pyrrolidine
CID 76626708
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethylpyrrolidine;methanol
CID 158560912
lithium;4-methylmorpholine;chloride
CID 172748649
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
3,4-dimethylmorpholine;ethane;2-methylmorpholine
CID 172583303

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,4-oxazepane;ethane?
The IUPAC name of 4,5-dimethyl-1,4-oxazepane;ethane (CID 163257636) is 4,5-dimethyl-1,4-oxazepane;ethane.
What is the SMILES notation for 4,5-dimethyl-1,4-oxazepane;ethane?
The canonical SMILES for 4,5-dimethyl-1,4-oxazepane;ethane is CC.CC1CCOCCN1C.
What is the InChIKey of 4,5-dimethyl-1,4-oxazepane;ethane?
The InChIKey is ONFWKXIHVSROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-7-3-5-9-6-4-8(7)2;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-1,4-oxazepane;ethane?
4,5-dimethyl-1,4-oxazepane;ethane has a molecular weight of 159.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,4-oxazepane;ethane is sourced from PubChem (CID 163257636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).