2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium

C44H60ClN5O2P2Ru2- — CID 162302901

IUPAC2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium
SMILESCCN(CC)CCNCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru].[CH-]=O.[CH-]=O.[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H29N2P.C18H15P.C4H12N3.2CHO.ClH.2Ru/c1-3-22(4-2)17-15-21-16-18-23(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-1-3-7-4-2-6;2*1-2;;;/h5-14,21H,3-4,15-18H2,1-2H3;1-15H;5,7H,1-4,6H2;2*1H;1H;;/q;;3*-1;;;+1/p+1
InChIKeyLXHHEILMPHJXGH-UHFFFAOYSA-O
MW990.54 g/mol
LogP5.68
Rot. Bonds17

About 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium

2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium (PubChem CID 162302901) has the molecular formula C44H60ClN5O2P2Ru2- and a molecular weight of 990.54 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium
PubChem CID162302901
Molecular FormulaC44H60ClN5O2P2Ru2-
Molecular Weight990.54 g/mol
Exact Mass991.20
IUPAC Name2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium
SMILESCCN(CC)CCNCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru].[CH-]=O.[CH-]=O.[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H29N2P.C18H15P.C4H12N3.2CHO.ClH.2Ru/c1-3-22(4-2)17-15-21-16-18-23(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-1-3-7-4-2-6;2*1-2;;;/h5-14,21H,3-4,15-18H2,1-2H3;1-15H;5,7H,1-4,6H2;2*1H;1H;;/q;;3*-1;;;+1/p+1
InChIKeyLXHHEILMPHJXGH-UHFFFAOYSA-O
XLogP5.68
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.54
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium?
The IUPAC name of 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium (CID 162302901) is 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium.
What is the SMILES notation for 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium?
The canonical SMILES for 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium is CCN(CC)CCNCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru].[CH-]=O.[CH-]=O.[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium?
The InChIKey is LXHHEILMPHJXGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29N2P.C18H15P.C4H12N3.2CHO.ClH.2Ru/c1-3-22(4-2)17-15-21-16-18-23(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-1-3-7-4-2-6;2*1-2;;;/h5-14,21H,3-4,15-18H2,1-2H3;1-15H;5,7H,1-4,6H2;2*1H;1H;;/q;;3*-1;;;+1/p+1.
What are the key properties of 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium?
2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium has a molecular weight of 990.54 g/mol, XLogP of 5.68, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium is sourced from PubChem (CID 162302901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).