N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine

C12H18N2O — CID 10242092

IUPACN-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
SMILESCCNCCO/N=C(\C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-13-9-10-15-14-11(2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/b14-11+
InChIKeyIVSULMJXNNFMLJ-SDNWHVSQSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine

N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine (PubChem CID 10242092) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
PubChem CID10242092
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
SMILESCCNCCO/N=C(\C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-13-9-10-15-14-11(2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/b14-11+
InChIKeyIVSULMJXNNFMLJ-SDNWHVSQSA-N
XLogP2.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
(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
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
CID 10547331
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium bromide
CID 10547330
3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine
CID 11022129
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954312
[(E)-1-phenylethylideneamino] acetate
CID 5392489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine?
The IUPAC name of N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine (CID 10242092) is N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine.
What is the SMILES notation for N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine?
The canonical SMILES for N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine is CCNCCO/N=C(\C)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine?
The InChIKey is IVSULMJXNNFMLJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-13-9-10-15-14-11(2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/b14-11+.
What are the key properties of N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine?
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine is sourced from PubChem (CID 10242092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).