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

C33H48Br2CoN4 — CID 18441636

IUPACcobalt(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
SMILESCc1cccc(C)c1NCCN(CCNc1c(C(C)C)cc(C(C)C)cc1C(C)C)Cc1ccccn1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C33H48N4.2BrH.Co/c1-23(2)28-20-30(24(3)4)33(31(21-28)25(5)6)36-17-19-37(22-29-14-9-10-15-34-29)18-16-35-32-26(7)12-11-13-27(32)8;;;/h9-15,20-21,23-25,35-36H,16-19,22H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyRRALPOSKPVCUQG-UHFFFAOYSA-L
MW719.52 g/mol
LogP2.10
Rot. Bonds13

About 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

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 (PubChem CID 18441636) has the molecular formula C33H48Br2CoN4 and a molecular weight of 719.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecobalt(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
PubChem CID18441636
Molecular FormulaC33H48Br2CoN4
Molecular Weight719.52 g/mol
Exact Mass717.16
IUPAC Namecobalt(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
SMILESCc1cccc(C)c1NCCN(CCNc1c(C(C)C)cc(C(C)C)cc1C(C)C)Cc1ccccn1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C33H48N4.2BrH.Co/c1-23(2)28-20-30(24(3)4)33(31(21-28)25(5)6)36-17-19-37(22-29-14-9-10-15-34-29)18-16-35-32-26(7)12-11-13-27(32)8;;;/h9-15,20-21,23-25,35-36H,16-19,22H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyRRALPOSKPVCUQG-UHFFFAOYSA-L
XLogP2.10
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

copper;N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441251
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
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
CID 18441534
N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441010
N-(2,4-dimethylphenyl)-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);dibromide
CID 21097706
N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
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
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 71857134

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C)c1NCCN(CCNc1c(C(C)C)cc(C(C)C)cc1C(C)C)Cc1ccccn1.[Br-].[Br-].[Co+2].
What is the InChIKey of 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?
The InChIKey is RRALPOSKPVCUQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H48N4.2BrH.Co/c1-23(2)28-20-30(24(3)4)33(31(21-28)25(5)6)36-17-19-37(22-29-14-9-10-15-34-29)18-16-35-32-26(7)12-11-13-27(32)8;;;/h9-15,20-21,23-25,35-36H,16-19,22H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of 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?
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 has a molecular weight of 719.52 g/mol, XLogP of 2.10, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18441636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).