(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine

C6H12N2O — CID 67841047

IUPAC(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine
SMILESN/C=C/COC/C=C/N
InChIInChI=1S/C6H12N2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-8H2/b3-1+,4-2+
InChIKeyQLRGOKBXUJLKKO-ZPUQHVIOSA-N
MW128.17 g/mol
LogP-0.05
Rot. Bonds4

About (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine

(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine (PubChem CID 67841047) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine
PubChem CID67841047
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine
SMILESN/C=C/COC/C=C/N
InChIInChI=1S/C6H12N2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-8H2/b3-1+,4-2+
InChIKeyQLRGOKBXUJLKKO-ZPUQHVIOSA-N
XLogP-0.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine?
The IUPAC name of (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine (CID 67841047) is (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine.
What is the SMILES notation for (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine?
The canonical SMILES for (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine is N/C=C/COC/C=C/N.
What is the InChIKey of (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine?
The InChIKey is QLRGOKBXUJLKKO-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-8H2/b3-1+,4-2+.
What are the key properties of (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine?
(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine has a molecular weight of 128.17 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine is sourced from PubChem (CID 67841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).