O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine

C6H14N2O — CID 146606645

IUPACO-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine
SMILESCCN/C=C(/CC)ON
InChIInChI=1S/C6H14N2O/c1-3-6(9-7)5-8-4-2/h5,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyNIVLBTHKIILMOW-WAYWQWQTSA-N
MW130.19 g/mol
LogP0.74
Rot. Bonds4

About O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine

O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine (PubChem CID 146606645) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine
PubChem CID146606645
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameO-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine
SMILESCCN/C=C(/CC)ON
InChIInChI=1S/C6H14N2O/c1-3-6(9-7)5-8-4-2/h5,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyNIVLBTHKIILMOW-WAYWQWQTSA-N
XLogP0.74
TPSA47.28 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 ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine?
The IUPAC name of O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine (CID 146606645) is O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine.
What is the SMILES notation for O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine?
The canonical SMILES for O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine is CCN/C=C(/CC)ON.
What is the InChIKey of O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine?
The InChIKey is NIVLBTHKIILMOW-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-6(9-7)5-8-4-2/h5,8H,3-4,7H2,1-2H3/b6-5-.
What are the key properties of O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine?
O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine has a molecular weight of 130.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-1-(ethylamino)but-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 146606645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).