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

C11H22N2O2 — CID 112594228

IUPAC5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
SMILESCCCCCCCN1CC(CN)OC1=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-7-13-9-10(8-12)15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyZTNCFNQCTPDVCH-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.74
Rot. Bonds7

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

5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one (PubChem CID 112594228) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
PubChem CID112594228
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
SMILESCCCCCCCN1CC(CN)OC1=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-7-13-9-10(8-12)15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyZTNCFNQCTPDVCH-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010734
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
5-(chloromethyl)-3-dodecyl-1,3-oxazolidin-2-one;1-dodecylpyrrolidin-2-one
CID 159459303
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
CID 86160491
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
CID 112594273
(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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide
CID 165365481
5-(aminomethyl)-3-propyl-1,3-oxazolidin-2-one;1,2-dichloro-4-methoxybenzene
CID 156723597

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one (CID 112594228) is 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one is CCCCCCCN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one?
The InChIKey is ZTNCFNQCTPDVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-6-7-13-9-10(8-12)15-11(13)14/h10H,2-9,12H2,1H3.
What are the key properties of 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).