dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine

C20H21Cl2N2PRu — CID 165378044

IUPACdichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCl[Ru]Cl.c1ccc(P(CCNCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C20H21N2P.2ClH.Ru/c1-3-10-19(11-4-1)23(20-12-5-2-6-13-20)16-15-21-17-18-9-7-8-14-22-18;;;/h1-14,21H,15-17H2;2*1H;/q;;;+2/p-2
InChIKeyBNSWCUPWXHPSOH-UHFFFAOYSA-L
MW492.35 g/mol
LogP4.68
Rot. Bonds7

About dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine

dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 165378044) has the molecular formula C20H21Cl2N2PRu and a molecular weight of 492.35 g/mol. Its IUPAC name is dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Namedichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID165378044
Molecular FormulaC20H21Cl2N2PRu
Molecular Weight492.35 g/mol
Exact Mass491.99
IUPAC Namedichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCl[Ru]Cl.c1ccc(P(CCNCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C20H21N2P.2ClH.Ru/c1-3-10-19(11-4-1)23(20-12-5-2-6-13-20)16-15-21-17-18-9-7-8-14-22-18;;;/h1-14,21H,15-17H2;2*1H;/q;;;+2/p-2
InChIKeyBNSWCUPWXHPSOH-UHFFFAOYSA-L
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177197146
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
chloro(hydrido)osmium;methanone;N-(pyridin-2-ylmethyl)propan-1-amine
CID 162303268
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine (CID 165378044) is dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine is Cl[Ru]Cl.c1ccc(P(CCNCc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is BNSWCUPWXHPSOH-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H21N2P.2ClH.Ru/c1-3-10-19(11-4-1)23(20-12-5-2-6-13-20)16-15-21-17-18-9-7-8-14-22-18;;;/h1-14,21H,15-17H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine?
dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 492.35 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 165378044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).