carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine

C6H14ClN2Ru+ — CID 164773898

IUPACcarbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine
SMILESCl[Ru+3].[CH2-]/C(C)=N\N(C)C.[CH3-]
InChIInChI=1S/C5H11N2.CH3.ClH.Ru/c1-5(2)6-7(3)4;;;/h1H2,2-4H3;1H3;1H;/q2*-1;;+4/p-1/b6-5+;;;
InChIKeyZONRSCQRXPJIPK-FWMLTEASSA-M
MW250.71 g/mol
LogP1.90
Rot. Bonds1

About carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine

carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine (PubChem CID 164773898) has the molecular formula C6H14ClN2Ru+ and a molecular weight of 250.71 g/mol. Its IUPAC name is carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine.

Molecular Properties

Compound Namecarbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine
PubChem CID164773898
Molecular FormulaC6H14ClN2Ru+
Molecular Weight250.71 g/mol
Exact Mass250.99
IUPAC Namecarbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine
SMILESCl[Ru+3].[CH2-]/C(C)=N\N(C)C.[CH3-]
InChIInChI=1S/C5H11N2.CH3.ClH.Ru/c1-5(2)6-7(3)4;;;/h1H2,2-4H3;1H3;1H;/q2*-1;;+4/p-1/b6-5+;;;
InChIKeyZONRSCQRXPJIPK-FWMLTEASSA-M
XLogP1.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine?
The IUPAC name of carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine (CID 164773898) is carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine.
What is the SMILES notation for carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine?
The canonical SMILES for carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine is Cl[Ru+3].[CH2-]/C(C)=N\N(C)C.[CH3-].
What is the InChIKey of carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine?
The InChIKey is ZONRSCQRXPJIPK-FWMLTEASSA-M. The full InChI is InChI=1S/C5H11N2.CH3.ClH.Ru/c1-5(2)6-7(3)4;;;/h1H2,2-4H3;1H3;1H;/q2*-1;;+4/p-1/b6-5+;;;.
What are the key properties of carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine?
carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine has a molecular weight of 250.71 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine is sourced from PubChem (CID 164773898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).