2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide

C13H22ClN2Ru — CID 86574473

IUPAC2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
SMILESCC(N)C[NH-].Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2]
InChIInChI=1S/C10H13.C3H9N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-3(5)2-4;;/h4,6-8H,1-3H3;3-4H,2,5H2,1H3;1H;/q2*-1;;+3/p-1
InChIKeyWYCBMFHDETZJEJ-UHFFFAOYSA-M
MW342.86 g/mol
LogP3.99
Rot. Bonds2

About 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide

2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide (PubChem CID 86574473) has the molecular formula C13H22ClN2Ru and a molecular weight of 342.86 g/mol. Its IUPAC name is 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide.

Molecular Properties

Compound Name2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
PubChem CID86574473
Molecular FormulaC13H22ClN2Ru
Molecular Weight342.86 g/mol
Exact Mass343.05
IUPAC Name2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
SMILESCC(N)C[NH-].Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2]
InChIInChI=1S/C10H13.C3H9N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-3(5)2-4;;/h4,6-8H,1-3H3;3-4H,2,5H2,1H3;1H;/q2*-1;;+3/p-1
InChIKeyWYCBMFHDETZJEJ-UHFFFAOYSA-M
XLogP3.99
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The IUPAC name of 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide (CID 86574473) is 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide.
What is the SMILES notation for 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The canonical SMILES for 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide is CC(N)C[NH-].Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2].
What is the InChIKey of 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The InChIKey is WYCBMFHDETZJEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.C3H9N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-3(5)2-4;;/h4,6-8H,1-3H3;3-4H,2,5H2,1H3;1H;/q2*-1;;+3/p-1.
What are the key properties of 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide has a molecular weight of 342.86 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide is sourced from PubChem (CID 86574473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).