5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane

C8H19N3O2 — CID 145493533

IUPAC5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.NCCNCC1CNC(=O)O1
InChIInChI=1S/C6H13N3O2.C2H6/c7-1-2-8-3-5-4-9-6(10)11-5;1-2/h5,8H,1-4,7H2,(H,9,10);1-2H3
InChIKeyYSCDAJQDFSYFAM-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.33
Rot. Bonds4

About 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane

5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane (PubChem CID 145493533) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane
PubChem CID145493533
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.NCCNCC1CNC(=O)O1
InChIInChI=1S/C6H13N3O2.C2H6/c7-1-2-8-3-5-4-9-6(10)11-5;1-2/h5,8H,1-4,7H2,(H,9,10);1-2H3
InChIKeyYSCDAJQDFSYFAM-UHFFFAOYSA-N
XLogP-0.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 94919826
4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid
CID 43473397
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
(2R)-2-hydroxy-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 130643410
molecular hydrogen;N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]propane-1-sulfonamide
CID 159817339
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-sulfanylacetamide
CID 141029507
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 143016675

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane (CID 145493533) is 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane is CC.NCCNCC1CNC(=O)O1.
What is the InChIKey of 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane?
The InChIKey is YSCDAJQDFSYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2.C2H6/c7-1-2-8-3-5-4-9-6(10)11-5;1-2/h5,8H,1-4,7H2,(H,9,10);1-2H3.
What are the key properties of 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane?
5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane has a molecular weight of 189.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoethylamino)methyl]-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 145493533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).