chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane

C30H34ClN2PRu — CID 15975189

IUPACchlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane
SMILESCN(C)Cc1c[c-]cc(CN(C)C)c1.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H19N2.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h1-15H;6-8H,9-10H2,1-4H3;1H;/q;-1;;+2/p-1
InChIKeyAOPZMBLFNSRFMV-UHFFFAOYSA-M
MW590.11 g/mol
LogP5.74
Rot. Bonds7

About chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane

chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane (PubChem CID 15975189) has the molecular formula C30H34ClN2PRu and a molecular weight of 590.11 g/mol. Its IUPAC name is chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane.

Molecular Properties

Compound Namechlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane
PubChem CID15975189
Molecular FormulaC30H34ClN2PRu
Molecular Weight590.11 g/mol
Exact Mass590.12
IUPAC Namechlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane
SMILESCN(C)Cc1c[c-]cc(CN(C)C)c1.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H19N2.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h1-15H;6-8H,9-10H2,1-4H3;1H;/q;-1;;+2/p-1
InChIKeyAOPZMBLFNSRFMV-UHFFFAOYSA-M
XLogP5.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.11
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
CID 15978763
CID 15978763
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
1,3-dimethylbenzene-5-ide;gold(1+);triphenylphosphane
CID 139254816
butane;triphenylphosphane
CID 161447439
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
CID 21268968
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376
ethane;triphenylphosphane
CID 90942156
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane?
The IUPAC name of chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane (CID 15975189) is chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane.
What is the SMILES notation for chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane?
The canonical SMILES for chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane is CN(C)Cc1c[c-]cc(CN(C)C)c1.Cl[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane?
The InChIKey is AOPZMBLFNSRFMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C12H19N2.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;/h1-15H;6-8H,9-10H2,1-4H3;1H;/q;-1;;+2/p-1.
What are the key properties of chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane?
chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane has a molecular weight of 590.11 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);1-[3-[(dimethylamino)methyl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;triphenylphosphane is sourced from PubChem (CID 15975189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).