dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate

C14H24Br2MnN2O-2 — CID 4866679

IUPACdibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate
SMILESBr[Mn]Br.C1=CC(C2CCC3CCCCC3[N-]2)[N-]CC1.O
InChIInChI=1S/C14H22N2.2BrH.Mn.H2O/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;;;/h3,7,11-14H,1-2,4-6,8-10H2;2*1H;;1H2/q-2;;;+2;/p-2
InChIKeyBAMNRWFHBXZINV-UHFFFAOYSA-L
MW451.11 g/mol
LogP4.65
Rot. Bonds1

About dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate

dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate (PubChem CID 4866679) has the molecular formula C14H24Br2MnN2O-2 and a molecular weight of 451.11 g/mol. Its IUPAC name is dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate.

Molecular Properties

Compound Namedibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate
PubChem CID4866679
Molecular FormulaC14H24Br2MnN2O-2
Molecular Weight451.11 g/mol
Exact Mass448.96
IUPAC Namedibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate
SMILESBr[Mn]Br.C1=CC(C2CCC3CCCCC3[N-]2)[N-]CC1.O
InChIInChI=1S/C14H22N2.2BrH.Mn.H2O/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;;;/h3,7,11-14H,1-2,4-6,8-10H2;2*1H;;1H2/q-2;;;+2;/p-2
InChIKeyBAMNRWFHBXZINV-UHFFFAOYSA-L
XLogP4.65
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.11
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate with MolForge

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Related Compounds

magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
CID 50909716
bis(1-cyclohexyl-4,4,4-trifluorobutane-1,3-diol);manganese(2+);6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide
CID 5259938
dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium
CID 6395458
iridium;2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;2-piperidin-1-id-2-ylpiperidin-1-ide
CID 58904139
(3R)-3-cyclohexylcycloheptene
CID 72711475
(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
CID 12739610
cyclododecene;cyclohexylcyclohexane
CID 173310836
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ide;2-methylpropane;uranium(2+)
CID 59783806
1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydrochrysene
CID 22256271
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
9-[(1R)-cyclohex-2-en-1-yl]-3-(9-cyclohex-2-en-1-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 121307545

Frequently Asked Questions

What is the IUPAC name of dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate?
The IUPAC name of dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate (CID 4866679) is dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate.
What is the SMILES notation for dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate?
The canonical SMILES for dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate is Br[Mn]Br.C1=CC(C2CCC3CCCCC3[N-]2)[N-]CC1.O.
What is the InChIKey of dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate?
The InChIKey is BAMNRWFHBXZINV-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22N2.2BrH.Mn.H2O/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;;;;/h3,7,11-14H,1-2,4-6,8-10H2;2*1H;;1H2/q-2;;;+2;/p-2.
What are the key properties of dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate?
dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate has a molecular weight of 451.11 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate is sourced from PubChem (CID 4866679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).