3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine

C12H23NO4 — CID 163490070

IUPAC3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
SMILESC=CCOCC(COCCCN)OCC1CO1
InChIInChI=1S/C12H23NO4/c1-2-5-14-7-11(8-15-6-3-4-13)16-9-12-10-17-12/h2,11-12H,1,3-10,13H2
InChIKeyCLVIKWHYZGWGPA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.34
Rot. Bonds12

About 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine

3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine (PubChem CID 163490070) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
PubChem CID163490070
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
SMILESC=CCOCC(COCCCN)OCC1CO1
InChIInChI=1S/C12H23NO4/c1-2-5-14-7-11(8-15-6-3-4-13)16-9-12-10-17-12/h2,11-12H,1,3-10,13H2
InChIKeyCLVIKWHYZGWGPA-UHFFFAOYSA-N
XLogP0.34
TPSA66.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
CID 160594356
(2S)-2,6-diaminohexanoic acid;2-(prop-2-enoxymethyl)oxirane
CID 131723438
3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 165092022
1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 59107254
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957
3-[3-(oxiran-2-ylmethoxy)propylsilyl]propan-1-amine
CID 175540007
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine?
The IUPAC name of 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine (CID 163490070) is 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine.
What is the SMILES notation for 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine?
The canonical SMILES for 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine is C=CCOCC(COCCCN)OCC1CO1.
What is the InChIKey of 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine?
The InChIKey is CLVIKWHYZGWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-5-14-7-11(8-15-6-3-4-13)16-9-12-10-17-12/h2,11-12H,1,3-10,13H2.
What are the key properties of 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine?
3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 0.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine is sourced from PubChem (CID 163490070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).