[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium

C34H51Cl2NPRu+ — CID 162458941

IUPAC[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN(Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H33P.C16H17N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;/h16-18H,1-15H2;1,3-11H,12-13H2,2H3;2*1H;/q;;;;+2/p-1
InChIKeyRLPZDZXGHIDKRZ-UHFFFAOYSA-M
MW676.74 g/mol
LogP10.59
Rot. Bonds8

About [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium

[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium (PubChem CID 162458941) has the molecular formula C34H51Cl2NPRu+ and a molecular weight of 676.74 g/mol. Its IUPAC name is [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Name[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
PubChem CID162458941
Molecular FormulaC34H51Cl2NPRu+
Molecular Weight676.74 g/mol
Exact Mass676.22
IUPAC Name[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN(Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H33P.C16H17N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;/h16-18H,1-15H2;1,3-11H,12-13H2,2H3;2*1H;/q;;;;+2/p-1
InChIKeyRLPZDZXGHIDKRZ-UHFFFAOYSA-M
XLogP10.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.74
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
CID 87671530
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide
CID 162733732
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
CID 59117453
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001

Frequently Asked Questions

What is the IUPAC name of [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium?
The IUPAC name of [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium (CID 162458941) is [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium.
What is the SMILES notation for [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium?
The canonical SMILES for [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN(Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl.
What is the InChIKey of [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium?
The InChIKey is RLPZDZXGHIDKRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C16H17N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;/h16-18H,1-15H2;1,3-11H,12-13H2,2H3;2*1H;/q;;;;+2/p-1.
What are the key properties of [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium?
[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium has a molecular weight of 676.74 g/mol, XLogP of 10.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium is sourced from PubChem (CID 162458941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).