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

C82H81N17O10S2 — CID 173109557

IUPACN-[[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
SMILESCC(C)Sc1cc(C=NO)nc2c1ccc1cccnc12.CCN(CC)CCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCSc1cc(C=NO)nc2c1ccc1cccnc12.NCCOc1cc(C=NO)nc2c1ccc1cccnc12
InChIInChI=1S/C19H22N4O2.C16H15N3O3.C16H15N3O2S.C16H15N3OS.C15H14N4O2/c1-3-23(4-2)10-11-25-17-12-15(13-21-24)22-19-16(17)8-7-14-6-5-9-20-18(14)19;2*1-21-7-8-22-14-9-12(10-18-20)19-16-13(14)5-4-11-3-2-6-17-15(11)16;1-10(2)21-14-8-12(9-18-20)19-16-13(14)6-5-11-4-3-7-17-15(11)16;16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h5-9,12-13,24H,3-4,10-11H2,1-2H3;2*2-6,9-10,20H,7-8H2,1H3;3-10,20H,1-2H3;1-4,6,8-9,20H,5,7,16H2
InChIKeyLQRSHIVDZNOUPU-UHFFFAOYSA-N
MW1528.79 g/mol
LogP15.28
Rot. Bonds24

About 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

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 (PubChem CID 173109557) has the molecular formula C82H81N17O10S2 and a molecular weight of 1528.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID173109557
Molecular FormulaC82H81N17O10S2
Molecular Weight1528.79 g/mol
Exact Mass1527.58
IUPAC NameN-[[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
SMILESCC(C)Sc1cc(C=NO)nc2c1ccc1cccnc12.CCN(CC)CCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCSc1cc(C=NO)nc2c1ccc1cccnc12.NCCOc1cc(C=NO)nc2c1ccc1cccnc12
InChIInChI=1S/C19H22N4O2.C16H15N3O3.C16H15N3O2S.C16H15N3OS.C15H14N4O2/c1-3-23(4-2)10-11-25-17-12-15(13-21-24)22-19-16(17)8-7-14-6-5-9-20-18(14)19;2*1-21-7-8-22-14-9-12(10-18-20)19-16-13(14)5-4-11-3-2-6-17-15(11)16;1-10(2)21-14-8-12(9-18-20)19-16-13(14)6-5-11-4-3-7-17-15(11)16;16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h5-9,12-13,24H,3-4,10-11H2,1-2H3;2*2-6,9-10,20H,7-8H2,1H3;3-10,20H,1-2H3;1-4,6,8-9,20H,5,7,16H2
InChIKeyLQRSHIVDZNOUPU-UHFFFAOYSA-N
XLogP15.28
TPSA367.26 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.79
LogP ≤ 515.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Sc1cc(C=NO)nc2c1ccc1cccnc12.CCN(CC)CCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCSc1cc(C=NO)nc2c1ccc1cccnc12.NCCOc1cc(C=NO)nc2c1ccc1cccnc12.
What is the InChIKey of 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?
The InChIKey is LQRSHIVDZNOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.C16H15N3O3.C16H15N3O2S.C16H15N3OS.C15H14N4O2/c1-3-23(4-2)10-11-25-17-12-15(13-21-24)22-19-16(17)8-7-14-6-5-9-20-18(14)19;2*1-21-7-8-22-14-9-12(10-18-20)19-16-13(14)5-4-11-3-2-6-17-15(11)16;1-10(2)21-14-8-12(9-18-20)19-16-13(14)6-5-11-4-3-7-17-15(11)16;16-5-7-21-13-8-11(9-18-20)19-15-12(13)4-3-10-2-1-6-17-14(10)15/h5-9,12-13,24H,3-4,10-11H2,1-2H3;2*2-6,9-10,20H,7-8H2,1H3;3-10,20H,1-2H3;1-4,6,8-9,20H,5,7,16H2.
What are the key properties of 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?
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 has a molecular weight of 1528.79 g/mol, XLogP of 15.28, 24 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173109557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).