5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one

C10H20N2O2 — CID 112594212

IUPAC5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CCN1CC(CN)OC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)4-5-12-7-8(6-11)14-9(12)13/h8H,4-7,11H2,1-3H3
InChIKeyKQTDDAQDKLJTSR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds3

About 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one (PubChem CID 112594212) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
PubChem CID112594212
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CCN1CC(CN)OC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)4-5-12-7-8(6-11)14-9(12)13/h8H,4-7,11H2,1-3H3
InChIKeyKQTDDAQDKLJTSR-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
CID 122432040
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 112594346
5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 82023084
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
CID 82378835
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one (CID 112594212) is 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one is CC(C)(C)CCN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one?
The InChIKey is KQTDDAQDKLJTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)4-5-12-7-8(6-11)14-9(12)13/h8H,4-7,11H2,1-3H3.
What are the key properties of 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).