2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol

C16H21NO2 — CID 11357400

IUPAC2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol
SMILESCC/C(=C1/CO/C1=N\C(C)(C)CO)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-13(12-8-6-5-7-9-12)14-10-19-15(14)17-16(2,3)11-18/h5-9,18H,4,10-11H2,1-3H3/b14-13+,17-15-
InChIKeyGSDZUWFUCIOKTL-WTMIRVJVSA-N
MW259.35 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol

2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol (PubChem CID 11357400) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol
PubChem CID11357400
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol
SMILESCC/C(=C1/CO/C1=N\C(C)(C)CO)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-13(12-8-6-5-7-9-12)14-10-19-15(14)17-16(2,3)11-18/h5-9,18H,4,10-11H2,1-3H3/b14-13+,17-15-
InChIKeyGSDZUWFUCIOKTL-WTMIRVJVSA-N
XLogP3.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol (CID 11357400) is 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol is CC/C(=C1/CO/C1=N\C(C)(C)CO)c1ccccc1.
What is the InChIKey of 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol?
The InChIKey is GSDZUWFUCIOKTL-WTMIRVJVSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-13(12-8-6-5-7-9-12)14-10-19-15(14)17-16(2,3)11-18/h5-9,18H,4,10-11H2,1-3H3/b14-13+,17-15-.
What are the key properties of 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol?
2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol is sourced from PubChem (CID 11357400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).