N-methoxy-2,2,5,5-tetramethyloxolan-3-imine

C9H17NO2 — CID 91117299

IUPACN-methoxy-2,2,5,5-tetramethyloxolan-3-imine
SMILESCON=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h6H2,1-5H3
InChIKeyNFVLPYBPMCXDFL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.97
Rot. Bonds1

About N-methoxy-2,2,5,5-tetramethyloxolan-3-imine

N-methoxy-2,2,5,5-tetramethyloxolan-3-imine (PubChem CID 91117299) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methoxy-2,2,5,5-tetramethyloxolan-3-imine.

Molecular Properties

Compound NameN-methoxy-2,2,5,5-tetramethyloxolan-3-imine
PubChem CID91117299
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methoxy-2,2,5,5-tetramethyloxolan-3-imine
SMILESCON=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h6H2,1-5H3
InChIKeyNFVLPYBPMCXDFL-UHFFFAOYSA-N
XLogP1.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 20671521
(Z)-N-methoxy-2,2,5,5-tetramethyloxolan-3-imine
CID 20684485
3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 58544105
CID 58544156
CID 58544156
CID 58544195
CID 58544195
CID 58544224
CID 58544224
CID 59967568
CID 59967568
2,2,5,5-tetramethyl-3,4(2H, 5H)-furandione dioxime
CID 136378421
methane;3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 159243780
Methane;3-(2-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 160032531
methane;3-(2-methoxypropan-2-yl)-5,5-dimethyl-4H-1,2-oxazole
CID 160483254
methane;3-(1-methoxyethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 160495536

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2,5,5-tetramethyloxolan-3-imine?
The IUPAC name of N-methoxy-2,2,5,5-tetramethyloxolan-3-imine (CID 91117299) is N-methoxy-2,2,5,5-tetramethyloxolan-3-imine.
What is the SMILES notation for N-methoxy-2,2,5,5-tetramethyloxolan-3-imine?
The canonical SMILES for N-methoxy-2,2,5,5-tetramethyloxolan-3-imine is CON=C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methoxy-2,2,5,5-tetramethyloxolan-3-imine?
The InChIKey is NFVLPYBPMCXDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h6H2,1-5H3.
What are the key properties of N-methoxy-2,2,5,5-tetramethyloxolan-3-imine?
N-methoxy-2,2,5,5-tetramethyloxolan-3-imine has a molecular weight of 171.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2,5,5-tetramethyloxolan-3-imine is sourced from PubChem (CID 91117299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).