1-[(E)-but-2-enoxy]propan-2-amine

C7H15NO — CID 58684482

IUPAC1-[(E)-but-2-enoxy]propan-2-amine
SMILESC/C=C/COCC(C)N
InChIInChI=1S/C7H15NO/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyQCBKZVFSWIVBDZ-ONEGZZNKSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds4

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

1-[(E)-but-2-enoxy]propan-2-amine (PubChem CID 58684482) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]propan-2-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]propan-2-amine
PubChem CID58684482
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-[(E)-but-2-enoxy]propan-2-amine
SMILESC/C=C/COCC(C)N
InChIInChI=1S/C7H15NO/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyQCBKZVFSWIVBDZ-ONEGZZNKSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]propan-2-amine?
The IUPAC name of 1-[(E)-but-2-enoxy]propan-2-amine (CID 58684482) is 1-[(E)-but-2-enoxy]propan-2-amine.
What is the SMILES notation for 1-[(E)-but-2-enoxy]propan-2-amine?
The canonical SMILES for 1-[(E)-but-2-enoxy]propan-2-amine is C/C=C/COCC(C)N.
What is the InChIKey of 1-[(E)-but-2-enoxy]propan-2-amine?
The InChIKey is QCBKZVFSWIVBDZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enoxy]propan-2-amine?
1-[(E)-but-2-enoxy]propan-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]propan-2-amine is sourced from PubChem (CID 58684482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).