1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol

C17H25N3O2 — CID 136504195

IUPAC1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol
SMILESC/C(=N\OCC(O)CNC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-12(15-10-18-16-8-6-5-7-14(15)16)20-22-11-13(21)9-19-17(2,3)4/h5-8,10,13,18-19,21H,9,11H2,1-4H3/b20-12+
InChIKeyRYEZHYDUXMCULU-UDWIEESQSA-N
MW303.41 g/mol
LogP2.66
Rot. Bonds6

About 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol

1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol (PubChem CID 136504195) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol
PubChem CID136504195
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol
SMILESC/C(=N\OCC(O)CNC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-12(15-10-18-16-8-6-5-7-14(15)16)20-22-11-13(21)9-19-17(2,3)4/h5-8,10,13,18-19,21H,9,11H2,1-4H3/b20-12+
InChIKeyRYEZHYDUXMCULU-UDWIEESQSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol (CID 136504195) is 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol is C/C(=N\OCC(O)CNC(C)(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol?
The InChIKey is RYEZHYDUXMCULU-UDWIEESQSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(15-10-18-16-8-6-5-7-14(15)16)20-22-11-13(21)9-19-17(2,3)4/h5-8,10,13,18-19,21H,9,11H2,1-4H3/b20-12+.
What are the key properties of 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol?
1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol is sourced from PubChem (CID 136504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).