(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium

C8H17N2O+ — CID 23261329

IUPAC(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
SMILESCCN1CC(C)OC1=[N+](C)C
InChIInChI=1S/C8H17N2O/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyYPGFGVVMNXUOSU-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.36
Rot. Bonds1

About (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium

(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium (PubChem CID 23261329) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
PubChem CID23261329
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
SMILESCCN1CC(C)OC1=[N+](C)C
InChIInChI=1S/C8H17N2O/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyYPGFGVVMNXUOSU-UHFFFAOYSA-N
XLogP0.36
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-Hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol
CID 18988731
N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523755
N,N-dipropyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523808
N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523590
5-methyl-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523595
N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine;hydrochloride
CID 21523598
3-ethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590559
3-cyclopropyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590566
3-ethyl-N-methyl-1,3-oxazolidin-2-imine
CID 89200308
3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 91035109
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
(2Z)-N,3,5-Trimethyl-1,3-oxazolidin-2-imine
CID 13202354

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium?
The IUPAC name of (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium (CID 23261329) is (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium.
What is the SMILES notation for (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium?
The canonical SMILES for (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium is CCN1CC(C)OC1=[N+](C)C.
What is the InChIKey of (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium?
The InChIKey is YPGFGVVMNXUOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1.
What are the key properties of (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium?
(3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium has a molecular weight of 157.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium is sourced from PubChem (CID 23261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).