O-[4-(diethylamino)but-2-ynyl]hydroxylamine

C8H16N2O — CID 11615329

IUPACO-[4-(diethylamino)but-2-ynyl]hydroxylamine
SMILESCCN(CC)CC#CCON
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8-11-9/h3-4,7-9H2,1-2H3
InChIKeyGRIDZZSDSCXHMF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds4

About O-[4-(diethylamino)but-2-ynyl]hydroxylamine

O-[4-(diethylamino)but-2-ynyl]hydroxylamine (PubChem CID 11615329) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is O-[4-(diethylamino)but-2-ynyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(diethylamino)but-2-ynyl]hydroxylamine
PubChem CID11615329
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameO-[4-(diethylamino)but-2-ynyl]hydroxylamine
SMILESCCN(CC)CC#CCON
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8-11-9/h3-4,7-9H2,1-2H3
InChIKeyGRIDZZSDSCXHMF-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[4-(diethylamino)but-2-ynyl]hydroxylamine?
The IUPAC name of O-[4-(diethylamino)but-2-ynyl]hydroxylamine (CID 11615329) is O-[4-(diethylamino)but-2-ynyl]hydroxylamine.
What is the SMILES notation for O-[4-(diethylamino)but-2-ynyl]hydroxylamine?
The canonical SMILES for O-[4-(diethylamino)but-2-ynyl]hydroxylamine is CCN(CC)CC#CCON.
What is the InChIKey of O-[4-(diethylamino)but-2-ynyl]hydroxylamine?
The InChIKey is GRIDZZSDSCXHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8-11-9/h3-4,7-9H2,1-2H3.
What are the key properties of O-[4-(diethylamino)but-2-ynyl]hydroxylamine?
O-[4-(diethylamino)but-2-ynyl]hydroxylamine has a molecular weight of 156.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(diethylamino)but-2-ynyl]hydroxylamine is sourced from PubChem (CID 11615329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).