(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine

C7H14N2O — CID 90453107

IUPAC(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)ONCC
InChIInChI=1S/C7H14N2O/c1-4-9-10-7(3)5-6(2)8/h5,9H,2,4,8H2,1,3H3/b7-5+
InChIKeyDFWKHOFEMKQOHH-FNORWQNLSA-N
MW142.20 g/mol
LogP0.90
Rot. Bonds4

About (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine

(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine (PubChem CID 90453107) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine
PubChem CID90453107
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)ONCC
InChIInChI=1S/C7H14N2O/c1-4-9-10-7(3)5-6(2)8/h5,9H,2,4,8H2,1,3H3/b7-5+
InChIKeyDFWKHOFEMKQOHH-FNORWQNLSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine (CID 90453107) is (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine is C=C(N)/C=C(\C)ONCC.
What is the InChIKey of (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine?
The InChIKey is DFWKHOFEMKQOHH-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-9-10-7(3)5-6(2)8/h5,9H,2,4,8H2,1,3H3/b7-5+.
What are the key properties of (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine?
(3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine has a molecular weight of 142.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(ethylaminooxy)penta-1,3-dien-2-amine is sourced from PubChem (CID 90453107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).