azane;3-ethyl-2-methyloxetane;dihydrate

C6H19NO3 — CID 143363740

IUPACazane;3-ethyl-2-methyloxetane;dihydrate
SMILESCCC1COC1C.N.O.O
InChIInChI=1S/C6H12O.H3N.2H2O/c1-3-6-4-7-5(6)2;;;/h5-6H,3-4H2,1-2H3;1H3;2*1H2
InChIKeyYIJZRDBZOALXCN-UHFFFAOYSA-N
MW153.22 g/mol
LogP-0.06
Rot. Bonds1

About azane;3-ethyl-2-methyloxetane;dihydrate

azane;3-ethyl-2-methyloxetane;dihydrate (PubChem CID 143363740) has the molecular formula C6H19NO3 and a molecular weight of 153.22 g/mol. Its IUPAC name is azane;3-ethyl-2-methyloxetane;dihydrate.

Molecular Properties

Compound Nameazane;3-ethyl-2-methyloxetane;dihydrate
PubChem CID143363740
Molecular FormulaC6H19NO3
Molecular Weight153.22 g/mol
Exact Mass153.14
IUPAC Nameazane;3-ethyl-2-methyloxetane;dihydrate
SMILESCCC1COC1C.N.O.O
InChIInChI=1S/C6H12O.H3N.2H2O/c1-3-6-4-7-5(6)2;;;/h5-6H,3-4H2,1-2H3;1H3;2*1H2
InChIKeyYIJZRDBZOALXCN-UHFFFAOYSA-N
XLogP-0.06
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3-ethyl-2-methyloxetane;dihydrate?
The IUPAC name of azane;3-ethyl-2-methyloxetane;dihydrate (CID 143363740) is azane;3-ethyl-2-methyloxetane;dihydrate.
What is the SMILES notation for azane;3-ethyl-2-methyloxetane;dihydrate?
The canonical SMILES for azane;3-ethyl-2-methyloxetane;dihydrate is CCC1COC1C.N.O.O.
What is the InChIKey of azane;3-ethyl-2-methyloxetane;dihydrate?
The InChIKey is YIJZRDBZOALXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.H3N.2H2O/c1-3-6-4-7-5(6)2;;;/h5-6H,3-4H2,1-2H3;1H3;2*1H2.
What are the key properties of azane;3-ethyl-2-methyloxetane;dihydrate?
azane;3-ethyl-2-methyloxetane;dihydrate has a molecular weight of 153.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethyl-2-methyloxetane;dihydrate is sourced from PubChem (CID 143363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).