cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride

C25H39Cl2CoN3 — CID 18441635

IUPACcobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
SMILESCCc1cc(CC)c(NCCN(C)CCNc2c(C)cccc2C)c(CC)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C25H39N3.2ClH.Co/c1-7-21-17-22(8-2)25(23(9-3)18-21)27-14-16-28(6)15-13-26-24-19(4)11-10-12-20(24)5;;;/h10-12,17-18,26-27H,7-9,13-16H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyZGHAXWDZTXWCHY-UHFFFAOYSA-L
MW511.45 g/mol
LogP-0.55
Rot. Bonds11

About cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride

cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride (PubChem CID 18441635) has the molecular formula C25H39Cl2CoN3 and a molecular weight of 511.45 g/mol. Its IUPAC name is cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride.

Molecular Properties

Compound Namecobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
PubChem CID18441635
Molecular FormulaC25H39Cl2CoN3
Molecular Weight511.45 g/mol
Exact Mass510.19
IUPAC Namecobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
SMILESCCc1cc(CC)c(NCCN(C)CCNc2c(C)cccc2C)c(CC)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C25H39N3.2ClH.Co/c1-7-21-17-22(8-2)25(23(9-3)18-21)27-14-16-28(6)15-13-26-24-19(4)11-10-12-20(24)5;;;/h10-12,17-18,26-27H,7-9,13-16H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyZGHAXWDZTXWCHY-UHFFFAOYSA-L
XLogP-0.55
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.45
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441227
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
N'-[(2,6-dimethylanilino)methyl]-N-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 87161768
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441668
N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
N'-[2-(2,6-dimethylanilino)ethyl]-N-(2,6-dimethylphenyl)-N'-iodoethane-1,2-diamine
CID 89273977
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide
CID 18441476
[2,4,6-triethyl-N-[2-(2,4,6-triethylanilino)ethyl]anilino]phosphinothious acid
CID 171526591
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride?
The IUPAC name of cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride (CID 18441635) is cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride.
What is the SMILES notation for cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride?
The canonical SMILES for cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride is CCc1cc(CC)c(NCCN(C)CCNc2c(C)cccc2C)c(CC)c1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride?
The InChIKey is ZGHAXWDZTXWCHY-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H39N3.2ClH.Co/c1-7-21-17-22(8-2)25(23(9-3)18-21)27-14-16-28(6)15-13-26-24-19(4)11-10-12-20(24)5;;;/h10-12,17-18,26-27H,7-9,13-16H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride?
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride has a molecular weight of 511.45 g/mol, XLogP of -0.55, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride is sourced from PubChem (CID 18441635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).