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

C26H41Br2CoN3 — CID 18441668

IUPACcobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
SMILESCc1cc(C(C)C)c(NCCN(C)CCNc2c(C)cccc2C)c(C(C)C)c1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C26H41N3.2BrH.Co/c1-18(2)23-16-20(5)17-24(19(3)4)26(23)28-13-15-29(8)14-12-27-25-21(6)10-9-11-22(25)7;;;/h9-11,16-19,27-28H,12-15H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyDIHQBMHPICEUPT-UHFFFAOYSA-L
MW614.38 g/mol
LogP0.32
Rot. Bonds10

About 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

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 (PubChem CID 18441668) has the molecular formula C26H41Br2CoN3 and a molecular weight of 614.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
PubChem CID18441668
Molecular FormulaC26H41Br2CoN3
Molecular Weight614.38 g/mol
Exact Mass612.10
IUPAC Namecobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
SMILESCc1cc(C(C)C)c(NCCN(C)CCNc2c(C)cccc2C)c(C(C)C)c1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C26H41N3.2BrH.Co/c1-18(2)23-16-20(5)17-24(19(3)4)26(23)28-13-15-29(8)14-12-27-25-21(6)10-9-11-22(25)7;;;/h9-11,16-19,27-28H,12-15H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyDIHQBMHPICEUPT-UHFFFAOYSA-L
XLogP0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
iron(2+);N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441123
copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441346
N'-[(2,6-dimethylanilino)methyl]-N-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 87161768
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
cobalt(2+);N-(2,6-dimethylphenyl)-N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441636
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
CID 18441635
cobalt(2+);N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;dibromide
CID 18441101
iron(2+);N-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N'-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441113
N'-[2-(2,6-dimethylanilino)ethyl]-N-(2,6-dimethylphenyl)-N'-iodoethane-1,2-diamine
CID 89273977
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(C)C)c(NCCN(C)CCNc2c(C)cccc2C)c(C(C)C)c1.[Br-].[Br-].[Co+2].
What is the InChIKey of 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?
The InChIKey is DIHQBMHPICEUPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H41N3.2BrH.Co/c1-18(2)23-16-20(5)17-24(19(3)4)26(23)28-13-15-29(8)14-12-27-25-21(6)10-9-11-22(25)7;;;/h9-11,16-19,27-28H,12-15H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of 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?
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 has a molecular weight of 614.38 g/mol, XLogP of 0.32, 10 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-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide is sourced from PubChem (CID 18441668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).