2-[(E)-ethylideneamino]propan-2-ol

C5H11NO — CID 90396206

IUPAC2-[(E)-ethylideneamino]propan-2-ol
SMILESC/C=N/C(C)(C)O
InChIInChI=1S/C5H11NO/c1-4-6-5(2,3)7/h4,7H,1-3H3/b6-4+
InChIKeyLCJFMSHKYBJKDT-GQCTYLIASA-N
MW101.15 g/mol
LogP0.81
Rot. Bonds1

About 2-[(E)-ethylideneamino]propan-2-ol

2-[(E)-ethylideneamino]propan-2-ol (PubChem CID 90396206) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-[(E)-ethylideneamino]propan-2-ol.

Molecular Properties

Compound Name2-[(E)-ethylideneamino]propan-2-ol
PubChem CID90396206
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-[(E)-ethylideneamino]propan-2-ol
SMILESC/C=N/C(C)(C)O
InChIInChI=1S/C5H11NO/c1-4-6-5(2,3)7/h4,7H,1-3H3/b6-4+
InChIKeyLCJFMSHKYBJKDT-GQCTYLIASA-N
XLogP0.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-ethylideneamino]propan-2-ol?
The IUPAC name of 2-[(E)-ethylideneamino]propan-2-ol (CID 90396206) is 2-[(E)-ethylideneamino]propan-2-ol.
What is the SMILES notation for 2-[(E)-ethylideneamino]propan-2-ol?
The canonical SMILES for 2-[(E)-ethylideneamino]propan-2-ol is C/C=N/C(C)(C)O.
What is the InChIKey of 2-[(E)-ethylideneamino]propan-2-ol?
The InChIKey is LCJFMSHKYBJKDT-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c1-4-6-5(2,3)7/h4,7H,1-3H3/b6-4+.
What are the key properties of 2-[(E)-ethylideneamino]propan-2-ol?
2-[(E)-ethylideneamino]propan-2-ol has a molecular weight of 101.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-ethylideneamino]propan-2-ol is sourced from PubChem (CID 90396206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).