triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium

C17H29N2O2+ — CID 10547331

IUPACtriethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
SMILESCC[N+](CC)(CC)CC(O)CO/N=C(\C)c1ccccc1
InChIInChI=1S/C17H29N2O2/c1-5-19(6-2,7-3)13-17(20)14-21-18-15(4)16-11-9-8-10-12-16/h8-12,17,20H,5-7,13-14H2,1-4H3/q+1/b18-15+
InChIKeyDTLHUSAZLRRTBX-OBGWFSINSA-N
MW293.43 g/mol
LogP2.66
Rot. Bonds9

About triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium

triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium (PubChem CID 10547331) has the molecular formula C17H29N2O2+ and a molecular weight of 293.43 g/mol. Its IUPAC name is triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
PubChem CID10547331
Molecular FormulaC17H29N2O2+
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Nametriethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
SMILESCC[N+](CC)(CC)CC(O)CO/N=C(\C)c1ccccc1
InChIInChI=1S/C17H29N2O2/c1-5-19(6-2,7-3)13-17(20)14-21-18-15(4)16-11-9-8-10-12-16/h8-12,17,20H,5-7,13-14H2,1-4H3/q+1/b18-15+
InChIKeyDTLHUSAZLRRTBX-OBGWFSINSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.66
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium bromide
CID 10547330
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
triethyl(2-hydroxypropyl)azanium;benzoate;hydrochloride
CID 20833865
(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine
CID 10849449
2-(3-anilino-2-hydroxypropoxy)iminopropanoic acid
CID 54315431
(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
CID 10517282
methyl 2-[[2-(1-phenylethylideneamino)oxyacetyl]amino]benzoate
CID 3533780

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium?
The IUPAC name of triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium (CID 10547331) is triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium.
What is the SMILES notation for triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium?
The canonical SMILES for triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium is CC[N+](CC)(CC)CC(O)CO/N=C(\C)c1ccccc1.
What is the InChIKey of triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium?
The InChIKey is DTLHUSAZLRRTBX-OBGWFSINSA-N. The full InChI is InChI=1S/C17H29N2O2/c1-5-19(6-2,7-3)13-17(20)14-21-18-15(4)16-11-9-8-10-12-16/h8-12,17,20H,5-7,13-14H2,1-4H3/q+1/b18-15+.
What are the key properties of triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium?
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium has a molecular weight of 293.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium is sourced from PubChem (CID 10547331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).