diaminogallylpotassium

C46H76GaKN2O8 — CID 139033961

IUPAC—
SMILESC1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[Ga-]1.[K+]
InChIInChI=1S/C26H36N2.C12H24O6.2C4H8O.Ga.K/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;;/h9-20H,1-8H3;1-12H2;2*1-4H2;;/q-2;;;;2*+1/b16-15-;;;;;
InChIKeyACWRGFWSJHMMBY-ATXXZBRASA-N
MW893.94 g/mol
LogP6.21
Rot. Bonds6

About diaminogallylpotassium

diaminogallylpotassium (PubChem CID 139033961) has the molecular formula C46H76GaKN2O8 and a molecular weight of 893.94 g/mol.

Molecular Properties

Compound Namediaminogallylpotassium
PubChem CID139033961
Molecular FormulaC46H76GaKN2O8
Molecular Weight893.94 g/mol
Exact Mass892.45
IUPAC Name—
SMILESC1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[Ga-]1.[K+]
InChIInChI=1S/C26H36N2.C12H24O6.2C4H8O.Ga.K/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;;/h9-20H,1-8H3;1-12H2;2*1-4H2;;/q-2;;;;2*+1/b16-15-;;;;;
InChIKeyACWRGFWSJHMMBY-ATXXZBRASA-N
XLogP6.21
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.94
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 162414939
CID 162414939
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
CID 6389258
CID 6389258
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
CID 129027447
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-iodosilyl]-iodosilane
CID 177492697
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597

Frequently Asked Questions

What is the IUPAC name of diaminogallylpotassium?
The IUPAC name of diaminogallylpotassium (CID 139033961) is not available.
What is the SMILES notation for diaminogallylpotassium?
The canonical SMILES for diaminogallylpotassium is C1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[Ga-]1.[K+].
What is the InChIKey of diaminogallylpotassium?
The InChIKey is ACWRGFWSJHMMBY-ATXXZBRASA-N. The full InChI is InChI=1S/C26H36N2.C12H24O6.2C4H8O.Ga.K/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;;/h9-20H,1-8H3;1-12H2;2*1-4H2;;/q-2;;;;2*+1/b16-15-;;;;;.
What are the key properties of diaminogallylpotassium?
diaminogallylpotassium has a molecular weight of 893.94 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diaminogallylpotassium is sourced from PubChem (CID 139033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).