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

C6H14N2O — CID 20780509

IUPAC1-[(E)-3-aminoprop-2-enoxy]propan-2-amine
SMILESCC(N)COC/C=C/N
InChIInChI=1S/C6H14N2O/c1-6(8)5-9-4-2-3-7/h2-3,6H,4-5,7-8H2,1H3/b3-2+
InChIKeyZPHZHQRZYLMQKE-NSCUHMNNSA-N
MW130.19 g/mol
LogP-0.18
Rot. Bonds4

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

1-[(E)-3-aminoprop-2-enoxy]propan-2-amine (PubChem CID 20780509) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine.

Molecular Properties

Compound Name1-[(E)-3-aminoprop-2-enoxy]propan-2-amine
PubChem CID20780509
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-[(E)-3-aminoprop-2-enoxy]propan-2-amine
SMILESCC(N)COC/C=C/N
InChIInChI=1S/C6H14N2O/c1-6(8)5-9-4-2-3-7/h2-3,6H,4-5,7-8H2,1H3/b3-2+
InChIKeyZPHZHQRZYLMQKE-NSCUHMNNSA-N
XLogP-0.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.18
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 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine?
The IUPAC name of 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine (CID 20780509) is 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine.
What is the SMILES notation for 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine?
The canonical SMILES for 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine is CC(N)COC/C=C/N.
What is the InChIKey of 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine?
The InChIKey is ZPHZHQRZYLMQKE-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(8)5-9-4-2-3-7/h2-3,6H,4-5,7-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine?
1-[(E)-3-aminoprop-2-enoxy]propan-2-amine has a molecular weight of 130.19 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-aminoprop-2-enoxy]propan-2-amine is sourced from PubChem (CID 20780509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).