2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine

C8H18N2O2 — CID 163910269

IUPAC2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine
SMILESC=C(COCCNC)OCCN
InChIInChI=1S/C8H18N2O2/c1-8(12-5-3-9)7-11-6-4-10-2/h10H,1,3-7,9H2,2H3
InChIKeyQRLLGYBPSWNNRJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.29
Rot. Bonds8

About 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine

2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine (PubChem CID 163910269) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine
PubChem CID163910269
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine
SMILESC=C(COCCNC)OCCN
InChIInChI=1S/C8H18N2O2/c1-8(12-5-3-9)7-11-6-4-10-2/h10H,1,3-7,9H2,2H3
InChIKeyQRLLGYBPSWNNRJ-UHFFFAOYSA-N
XLogP-0.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
2-(2-methoxyprop-2-enoxy)-N,N-dimethylethanamine
CID 88943626
2-methyl-N-[2-[3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yloxy]ethyl]propan-2-amine
CID 132158750
2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine
CID 135130183
N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 140908036
ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
CID 143148551
1-[2-(2-Aminopropoxy)prop-2-enoxy]propan-2-amine
CID 163514564
N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine
CID 171832820
3-methoxy-N-methyl-2-prop-2-enoxypropan-1-amine
CID 103227722
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113589378
2-(2-methoxyethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467373
N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
CID 143148552

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine?
The IUPAC name of 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine (CID 163910269) is 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine.
What is the SMILES notation for 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine?
The canonical SMILES for 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine is C=C(COCCNC)OCCN.
What is the InChIKey of 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine?
The InChIKey is QRLLGYBPSWNNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(12-5-3-9)7-11-6-4-10-2/h10H,1,3-7,9H2,2H3.
What are the key properties of 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine?
2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine has a molecular weight of 174.24 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(methylamino)ethoxy]prop-1-en-2-yloxy]ethanamine is sourced from PubChem (CID 163910269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).