(2E)-2-propan-2-yloxyiminoethanamine

C5H12N2O — CID 58684286

IUPAC(2E)-2-propan-2-yloxyiminoethanamine
SMILESCC(C)O/N=C/CN
InChIInChI=1S/C5H12N2O/c1-5(2)8-7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+
InChIKeyWEHASHMWNCOTNH-QPJJXVBHSA-N
MW116.16 g/mol
LogP0.36
Rot. Bonds3

About (2E)-2-propan-2-yloxyiminoethanamine

(2E)-2-propan-2-yloxyiminoethanamine (PubChem CID 58684286) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (2E)-2-propan-2-yloxyiminoethanamine.

Molecular Properties

Compound Name(2E)-2-propan-2-yloxyiminoethanamine
PubChem CID58684286
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(2E)-2-propan-2-yloxyiminoethanamine
SMILESCC(C)O/N=C/CN
InChIInChI=1S/C5H12N2O/c1-5(2)8-7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+
InChIKeyWEHASHMWNCOTNH-QPJJXVBHSA-N
XLogP0.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2E)-2-propan-2-yloxyiminoethanamine?
The IUPAC name of (2E)-2-propan-2-yloxyiminoethanamine (CID 58684286) is (2E)-2-propan-2-yloxyiminoethanamine.
What is the SMILES notation for (2E)-2-propan-2-yloxyiminoethanamine?
The canonical SMILES for (2E)-2-propan-2-yloxyiminoethanamine is CC(C)O/N=C/CN.
What is the InChIKey of (2E)-2-propan-2-yloxyiminoethanamine?
The InChIKey is WEHASHMWNCOTNH-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2)8-7-4-3-6/h4-5H,3,6H2,1-2H3/b7-4+.
What are the key properties of (2E)-2-propan-2-yloxyiminoethanamine?
(2E)-2-propan-2-yloxyiminoethanamine has a molecular weight of 116.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-propan-2-yloxyiminoethanamine is sourced from PubChem (CID 58684286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).