3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine

C8H16N2O — CID 91035109

IUPAC3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
SMILESCC(C)/N=C1\OCC(C)N1C
InChIInChI=1S/C8H16N2O/c1-6(2)9-8-10(4)7(3)5-11-8/h6-7H,5H2,1-4H3/b9-8-
InChIKeyOSMVRORLVHSQJY-HJWRWDBZSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds1

About 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine

3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine (PubChem CID 91035109) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
PubChem CID91035109
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
SMILESCC(C)/N=C1\OCC(C)N1C
InChIInChI=1S/C8H16N2O/c1-6(2)9-8-10(4)7(3)5-11-8/h6-7H,5H2,1-4H3/b9-8-
InChIKeyOSMVRORLVHSQJY-HJWRWDBZSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine
CID 143942515
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
(4S)-3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590557
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
2-(2-Propan-2-ylimino-1,3-oxazolidin-3-yl)ethanol
CID 57590572
[(4S)-3-methyl-2-propan-2-ylimino-1,3-oxazolidin-4-yl]methanol
CID 57590575
N,N-dimethyl-1-(3-methyl-2-propan-2-ylimino-1,3-oxazolidin-4-yl)methanamine
CID 57590585
3-methyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590586
(3-Tert-butyl-1,3-oxazolidin-2-ylidene)cyanamide
CID 57679149

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine?
The IUPAC name of 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine (CID 91035109) is 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine.
What is the SMILES notation for 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine?
The canonical SMILES for 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine is CC(C)/N=C1\OCC(C)N1C.
What is the InChIKey of 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine?
The InChIKey is OSMVRORLVHSQJY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)9-8-10(4)7(3)5-11-8/h6-7H,5H2,1-4H3/b9-8-.
What are the key properties of 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine?
3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine has a molecular weight of 156.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 91035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).