N-[2-(methylamino)ethylidene]hydroxylamine

C3H8N2O — CID 76588965

IUPACN-[2-(methylamino)ethylidene]hydroxylamine
SMILESCNCC=NO
InChIInChI=1S/C3H8N2O/c1-4-2-3-5-6/h3-4,6H,2H2,1H3
InChIKeyHAEWXMKBCZLXJR-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.33
Rot. Bonds2

About N-[2-(methylamino)ethylidene]hydroxylamine

N-[2-(methylamino)ethylidene]hydroxylamine (PubChem CID 76588965) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is N-[2-(methylamino)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(methylamino)ethylidene]hydroxylamine
PubChem CID76588965
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC NameN-[2-(methylamino)ethylidene]hydroxylamine
SMILESCNCC=NO
InChIInChI=1S/C3H8N2O/c1-4-2-3-5-6/h3-4,6H,2H2,1H3
InChIKeyHAEWXMKBCZLXJR-UHFFFAOYSA-N
XLogP-0.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-[2-(methylamino)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(methylamino)ethylidene]hydroxylamine (CID 76588965) is N-[2-(methylamino)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(methylamino)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(methylamino)ethylidene]hydroxylamine is CNCC=NO.
What is the InChIKey of N-[2-(methylamino)ethylidene]hydroxylamine?
The InChIKey is HAEWXMKBCZLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-4-2-3-5-6/h3-4,6H,2H2,1H3.
What are the key properties of N-[2-(methylamino)ethylidene]hydroxylamine?
N-[2-(methylamino)ethylidene]hydroxylamine has a molecular weight of 88.11 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethylidene]hydroxylamine is sourced from PubChem (CID 76588965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).