chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide

C14H24ClN2Ru — CID 86574474

IUPACchlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide
SMILESC[N-]CCNC.Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2]
InChIInChI=1S/C10H13.C4H11N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-5-3-4-6-2;;/h4,6-8H,1-3H3;5H,3-4H2,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyKKDFPMVRRMJUOC-UHFFFAOYSA-M
MW356.88 g/mol
LogP3.81
Rot. Bonds4

About chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide

chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide (PubChem CID 86574474) has the molecular formula C14H24ClN2Ru and a molecular weight of 356.88 g/mol. Its IUPAC name is chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide.

Molecular Properties

Compound Namechlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide
PubChem CID86574474
Molecular FormulaC14H24ClN2Ru
Molecular Weight356.88 g/mol
Exact Mass357.07
IUPAC Namechlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide
SMILESC[N-]CCNC.Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2]
InChIInChI=1S/C10H13.C4H11N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-5-3-4-6-2;;/h4,6-8H,1-3H3;5H,3-4H2,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyKKDFPMVRRMJUOC-UHFFFAOYSA-M
XLogP3.81
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide?
The IUPAC name of chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide (CID 86574474) is chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide.
What is the SMILES notation for chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide?
The canonical SMILES for chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide is C[N-]CCNC.Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2].
What is the InChIKey of chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide?
The InChIKey is KKDFPMVRRMJUOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.C4H11N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-5-3-4-6-2;;/h4,6-8H,1-3H3;5H,3-4H2,1-2H3;1H;/q2*-1;;+3/p-1.
What are the key properties of chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide?
chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide has a molecular weight of 356.88 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(2+);methyl-[2-(methylamino)ethyl]azanide;1-methyl-4-propan-2-ylbenzene-6-ide is sourced from PubChem (CID 86574474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).