(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine

C15H14N4O2 — CID 135897790

IUPAC(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine
SMILESNCCOc1cc(/C=N/O)nc2c1ccc1cccnc12
InChIInChI=1S/C15H14N4O2/c16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h1-4,6,8-9,20H,5,7,16H2/b18-9+
InChIKeyNLDRUGJKXMUBNB-GIJQJNRQSA-N
MW282.30 g/mol
LogP1.93
Rot. Bonds4

About (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine

(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine (PubChem CID 135897790) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine
PubChem CID135897790
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine
SMILESNCCOc1cc(/C=N/O)nc2c1ccc1cccnc12
InChIInChI=1S/C15H14N4O2/c16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h1-4,6,8-9,20H,5,7,16H2/b18-9+
InChIKeyNLDRUGJKXMUBNB-GIJQJNRQSA-N
XLogP1.93
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine with MolForge

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Related Compounds

N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine;N-[[4-[2-(diethylamino)ethoxy]-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine;N-[[4-(2-methoxyethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine;N-[[4-(2-methoxyethylsulfanyl)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine;N-[(4-propan-2-ylsulfanyl-1,10-phenanthrolin-2-yl)methylidene]hydroxylamine
CID 173109557
2-(1,10-phenanthrolin-5-yloxy)ethanamine
CID 59008923
2-quinolin-8-yloxyethanamine
CID 17174906
N-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine;N-[[4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine
CID 158108287
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(6-propan-2-ylquinolin-8-yl)oxyethanamine
CID 166022914
(7-methoxyquinolin-8-yl)methanamine
CID 125427150
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine (CID 135897790) is (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine is NCCOc1cc(/C=N/O)nc2c1ccc1cccnc12.
What is the InChIKey of (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine?
The InChIKey is NLDRUGJKXMUBNB-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h1-4,6,8-9,20H,5,7,16H2/b18-9+.
What are the key properties of (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine?
(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine has a molecular weight of 282.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135897790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).