chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone

C21H41ClN2OPRu+2 — CID 162272580

IUPACchloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone
SMILESC.CCN(CC)Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1.Cl[Ru+2].[CH-]=O
InChIInChI=1S/C19H35N2P.CHO.CH4.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;;/h11-13H,9-10,14-15H2,1-8H3;1H;1H4;1H;/q;-1;;;+3
InChIKeyCEXGMMHZRCGBSW-UHFFFAOYSA-N
MW505.07 g/mol
LogP6.28
Rot. Bonds6

About chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone

chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone (PubChem CID 162272580) has the molecular formula C21H41ClN2OPRu+2 and a molecular weight of 505.07 g/mol. Its IUPAC name is chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone.

Molecular Properties

Compound Namechloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone
PubChem CID162272580
Molecular FormulaC21H41ClN2OPRu+2
Molecular Weight505.07 g/mol
Exact Mass505.17
IUPAC Namechloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone
SMILESC.CCN(CC)Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1.Cl[Ru+2].[CH-]=O
InChIInChI=1S/C19H35N2P.CHO.CH4.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;;/h11-13H,9-10,14-15H2,1-8H3;1H;1H4;1H;/q;-1;;;+3
InChIKeyCEXGMMHZRCGBSW-UHFFFAOYSA-N
XLogP6.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.07
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[(benzylamino)methyl]-2-pyridinyl]methyl-ditert-butylphosphanium;chloro(hydrido)ruthenium(2+);methanone
CID 140812818
carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone
CID 159421006
N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 138538363
N-[[7-(diethylaminomethyl)-1,8-naphthyridin-2-yl]methyl]-N-ethylethanamine
CID 12975075
tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 91140036
chloroform;N-[[6-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]-2-pyridinyl]methyl]-N-ethylethanamine;bromide
CID 139182018
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
CID 54257408
[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
CID 153284875
chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride
CID 163562643

Frequently Asked Questions

What is the IUPAC name of chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone?
The IUPAC name of chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone (CID 162272580) is chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone.
What is the SMILES notation for chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone?
The canonical SMILES for chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone is C.CCN(CC)Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1.Cl[Ru+2].[CH-]=O.
What is the InChIKey of chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone?
The InChIKey is CEXGMMHZRCGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2P.CHO.CH4.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;;/h11-13H,9-10,14-15H2,1-8H3;1H;1H4;1H;/q;-1;;;+3.
What are the key properties of chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone?
chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone has a molecular weight of 505.07 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone is sourced from PubChem (CID 162272580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).