bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)

C24H36Br2CoN3 — CID 66808893

IUPACbis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)
SMILESBr[Co+]Br.CCc1cccc(CC)c1C(N)C[N-]CC(N)c1c(CC)cccc1CC
InChIInChI=1S/C24H36N3.2BrH.Co/c1-5-17-11-9-12-18(6-2)23(17)21(25)15-27-16-22(26)24-19(7-3)13-10-14-20(24)8-4;;;/h9-14,21-22H,5-8,15-16,25-26H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyOILLUCXLMYQMNW-UHFFFAOYSA-L
MW585.31 g/mol
LogP6.70
Rot. Bonds10

About bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)

bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+) (PubChem CID 66808893) has the molecular formula C24H36Br2CoN3 and a molecular weight of 585.31 g/mol. Its IUPAC name is bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+).

Molecular Properties

Compound Namebis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)
PubChem CID66808893
Molecular FormulaC24H36Br2CoN3
Molecular Weight585.31 g/mol
Exact Mass583.06
IUPAC Namebis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)
SMILESBr[Co+]Br.CCc1cccc(CC)c1C(N)C[N-]CC(N)c1c(CC)cccc1CC
InChIInChI=1S/C24H36N3.2BrH.Co/c1-5-17-11-9-12-18(6-2)23(17)21(25)15-27-16-22(26)24-19(7-3)13-10-14-20(24)8-4;;;/h9-14,21-22H,5-8,15-16,25-26H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyOILLUCXLMYQMNW-UHFFFAOYSA-L
XLogP6.70
TPSA66.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.31
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;cobalt
CID 66809098
bis[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]azanide;copper(1+)
CID 66809160
[2-amino-2-[2,6-di(propan-2-yl)phenyl]ethyl]-[3-amino-3-[2,6-di(propan-2-yl)phenyl]propyl]azanide;dibromocobalt(1+)
CID 66808797
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
CID 87161798
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488
2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
2,6-diethylaniline;propane
CID 174429495
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CID 175873065
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119

Frequently Asked Questions

What is the IUPAC name of bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)?
The IUPAC name of bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+) (CID 66808893) is bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+).
What is the SMILES notation for bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)?
The canonical SMILES for bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+) is Br[Co+]Br.CCc1cccc(CC)c1C(N)C[N-]CC(N)c1c(CC)cccc1CC.
What is the InChIKey of bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)?
The InChIKey is OILLUCXLMYQMNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H36N3.2BrH.Co/c1-5-17-11-9-12-18(6-2)23(17)21(25)15-27-16-22(26)24-19(7-3)13-10-14-20(24)8-4;;;/h9-14,21-22H,5-8,15-16,25-26H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+)?
bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+) has a molecular weight of 585.31 g/mol, XLogP of 6.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-amino-2-(2,6-diethylphenyl)ethyl]azanide;dibromocobalt(1+) is sourced from PubChem (CID 66808893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).