N-ethoxy-2-methoxyprop-1-en-1-amine

C6H13NO2 — CID 123732372

IUPACN-ethoxy-2-methoxyprop-1-en-1-amine
SMILESCCONC=C(C)OC
InChIInChI=1S/C6H13NO2/c1-4-9-7-5-6(2)8-3/h5,7H,4H2,1-3H3
InChIKeyITHMSCDAMDDFBR-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.04
Rot. Bonds4

About N-ethoxy-2-methoxyprop-1-en-1-amine

N-ethoxy-2-methoxyprop-1-en-1-amine (PubChem CID 123732372) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-ethoxy-2-methoxyprop-1-en-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-methoxyprop-1-en-1-amine
PubChem CID123732372
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-ethoxy-2-methoxyprop-1-en-1-amine
SMILESCCONC=C(C)OC
InChIInChI=1S/C6H13NO2/c1-4-9-7-5-6(2)8-3/h5,7H,4H2,1-3H3
InChIKeyITHMSCDAMDDFBR-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methoxyprop-1-en-1-amine?
The IUPAC name of N-ethoxy-2-methoxyprop-1-en-1-amine (CID 123732372) is N-ethoxy-2-methoxyprop-1-en-1-amine.
What is the SMILES notation for N-ethoxy-2-methoxyprop-1-en-1-amine?
The canonical SMILES for N-ethoxy-2-methoxyprop-1-en-1-amine is CCONC=C(C)OC.
What is the InChIKey of N-ethoxy-2-methoxyprop-1-en-1-amine?
The InChIKey is ITHMSCDAMDDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-9-7-5-6(2)8-3/h5,7H,4H2,1-3H3.
What are the key properties of N-ethoxy-2-methoxyprop-1-en-1-amine?
N-ethoxy-2-methoxyprop-1-en-1-amine has a molecular weight of 131.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methoxyprop-1-en-1-amine is sourced from PubChem (CID 123732372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).