2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride

C23H29ClN3OPRu-2 — CID 162302385

IUPAC2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride
SMILES[CH-]=O.[Cl-].[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H12N3.CHO.ClH.Ru/c1-4-10-16(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;1-2;;/h1-15H;5,7H,1-4,6H2;1H;1H;/q;2*-1;;
InChIKeyIKEMMORKTYYTLN-UHFFFAOYSA-N
MW531.00 g/mol
LogP-0.51
Rot. Bonds7

About 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride

2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride (PubChem CID 162302385) has the molecular formula C23H29ClN3OPRu-2 and a molecular weight of 531.00 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride
PubChem CID162302385
Molecular FormulaC23H29ClN3OPRu-2
Molecular Weight531.00 g/mol
Exact Mass531.08
IUPAC Name2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride
SMILES[CH-]=O.[Cl-].[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H12N3.CHO.ClH.Ru/c1-4-10-16(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;1-2;;/h1-15H;5,7H,1-4,6H2;1H;1H;/q;2*-1;;
InChIKeyIKEMMORKTYYTLN-UHFFFAOYSA-N
XLogP-0.51
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.00
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(2-aminoethylamino)ethylazanide;chloro(hydrido)ruthenium;2-[2-(diethylamino)ethylamino]ethyl-diphenylphosphanium;methanone;ruthenium monohydride;triphenylphosphanium
CID 162302901
methanone;rhodium(2+);bis(triphenylphosphanium);chloride
CID 71463886
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium
CID 176691304
acetic acid;2-(2-aminoethylamino)ethylazanide;gadolinium
CID 87275833
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
hexakis(triphenylphosphanium);hexabromide
CID 160734106
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride?
The IUPAC name of 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride (CID 162302385) is 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride.
What is the SMILES notation for 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride?
The canonical SMILES for 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride is [CH-]=O.[Cl-].[NH-]CCNCCN.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride?
The InChIKey is IKEMMORKTYYTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H12N3.CHO.ClH.Ru/c1-4-10-16(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;1-2;;/h1-15H;5,7H,1-4,6H2;1H;1H;/q;2*-1;;.
What are the key properties of 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride?
2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride has a molecular weight of 531.00 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride is sourced from PubChem (CID 162302385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).