ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol

C8H18N2O2 — CID 143466094

IUPACethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol
SMILESC/N=C1/NC(C)(CO)CO1.CC
InChIInChI=1S/C6H12N2O2.C2H6/c1-6(3-9)4-10-5(7-2)8-6;1-2/h9H,3-4H2,1-2H3,(H,7,8);1-2H3
InChIKeyDKXMICCWADULTG-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.37
Rot. Bonds1

About ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol

ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol (PubChem CID 143466094) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol.

Molecular Properties

Compound Nameethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol
PubChem CID143466094
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol
SMILESC/N=C1/NC(C)(CO)CO1.CC
InChIInChI=1S/C6H12N2O2.C2H6/c1-6(3-9)4-10-5(7-2)8-6;1-2/h9H,3-4H2,1-2H3,(H,7,8);1-2H3
InChIKeyDKXMICCWADULTG-UHFFFAOYSA-N
XLogP0.37
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 160845972
(3R,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 93234204
(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 45086724
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
(2-tert-butyl-2,4-dimethyl-1,3-oxazolidin-4-yl)methanol
CID 67784418
(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol
CID 117193569
(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
CID 170911656
(6-fluoro-2-methyl-1,3-dihydroindol-2-yl)methanol
CID 117193573
(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
CID 129409253
[4-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-ylidene]-methylazanium chloride
CID 18527629
(3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)methanol;hydrochloride
CID 3071183

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol?
The IUPAC name of ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol (CID 143466094) is ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol.
What is the SMILES notation for ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol?
The canonical SMILES for ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol is C/N=C1/NC(C)(CO)CO1.CC.
What is the InChIKey of ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol?
The InChIKey is DKXMICCWADULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2H6/c1-6(3-9)4-10-5(7-2)8-6;1-2/h9H,3-4H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol?
ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol has a molecular weight of 174.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol is sourced from PubChem (CID 143466094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).