N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine

C18H23N3O — CID 26478

IUPACN,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
SMILESCCN(CC)CCON=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)14-15-22-20-18(16-10-6-5-7-11-16)17-12-8-9-13-19-17/h5-13H,3-4,14-15H2,1-2H3
InChIKeyLURHNZKIXLOLQK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.19
Rot. Bonds8

About N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine

N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine (PubChem CID 26478) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
PubChem CID26478
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
SMILESCCN(CC)CCON=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)14-15-22-20-18(16-10-6-5-7-11-16)17-12-8-9-13-19-17/h5-13H,3-4,14-15H2,1-2H3
InChIKeyLURHNZKIXLOLQK-UHFFFAOYSA-N
XLogP3.19
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine
CID 10753511
N,N-diethyl-2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxyethanamine;oxalic acid
CID 73449276
[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
CID 125474500
1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
CID 173361477
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine (CID 26478) is N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine is CCN(CC)CCON=C(c1ccccc1)c1ccccn1.
What is the InChIKey of N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine?
The InChIKey is LURHNZKIXLOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(4-2)14-15-22-20-18(16-10-6-5-7-11-16)17-12-8-9-13-19-17/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine?
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine is sourced from PubChem (CID 26478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).