1-[(E)-butan-2-ylideneamino]oxypropan-2-ol

C7H15NO2 — CID 18931756

IUPAC1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
SMILESCC/C(C)=N/OCC(C)O
InChIInChI=1S/C7H15NO2/c1-4-6(2)8-10-5-7(3)9/h7,9H,4-5H2,1-3H3/b8-6+
InChIKeyDJIRDIJKXJYBDT-SOFGYWHQSA-N
MW145.20 g/mol
LogP1.17
Rot. Bonds4

About 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol

1-[(E)-butan-2-ylideneamino]oxypropan-2-ol (PubChem CID 18931756) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol.

Molecular Properties

Compound Name1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
PubChem CID18931756
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
SMILESCC/C(C)=N/OCC(C)O
InChIInChI=1S/C7H15NO2/c1-4-6(2)8-10-5-7(3)9/h7,9H,4-5H2,1-3H3/b8-6+
InChIKeyDJIRDIJKXJYBDT-SOFGYWHQSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.17
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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Related Compounds

N-(2-methylbutoxy)butan-2-imine
CID 123385525
N-ethoxybutan-2-imine
CID 54202913
[(2R)-2-hydroxypropyl] nitrite
CID 150898470
2-(butan-2-ylideneamino)oxypropanoic acid
CID 155659771
(Z)-N-(trimethylsilylmethoxy)butan-2-imine
CID 102437237
N-silyloxybutan-2-imine
CID 123155500
O-(butan-2-ylideneamino)hydroxylamine
CID 141086083
(butan-2-ylideneamino) carbamate
CID 54343836
ethanol;2-hydroxypropyl acetate
CID 88717262
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
[(E)-butan-2-ylideneamino] carbonochloridate
CID 11051834
(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine
CID 170685714

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol?
The IUPAC name of 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol (CID 18931756) is 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol.
What is the SMILES notation for 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol?
The canonical SMILES for 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol is CC/C(C)=N/OCC(C)O.
What is the InChIKey of 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol?
The InChIKey is DJIRDIJKXJYBDT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(2)8-10-5-7(3)9/h7,9H,4-5H2,1-3H3/b8-6+.
What are the key properties of 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol?
1-[(E)-butan-2-ylideneamino]oxypropan-2-ol has a molecular weight of 145.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-butan-2-ylideneamino]oxypropan-2-ol is sourced from PubChem (CID 18931756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).