magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)

C18H32MgN2 — CID 11033935

IUPACmagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
SMILESC1CCC2[N-]CCCC2C1.C1CCC2[N-]CCCC2C1.[Mg+2]
InChIInChI=1S/2C9H16N.Mg/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*8-9H,1-7H2;/q2*-1;+2
InChIKeyNNHAYBCDWPOKSE-UHFFFAOYSA-N
MW300.77 g/mol
LogP5.04
Rot. Bonds

About magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)

magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) (PubChem CID 11033935) has the molecular formula C18H32MgN2 and a molecular weight of 300.77 g/mol. Its IUPAC name is magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide).

Molecular Properties

Compound Namemagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
PubChem CID11033935
Molecular FormulaC18H32MgN2
Molecular Weight300.77 g/mol
Exact Mass300.24
IUPAC Namemagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
SMILESC1CCC2[N-]CCCC2C1.C1CCC2[N-]CCCC2C1.[Mg+2]
InChIInChI=1S/2C9H16N.Mg/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*8-9H,1-7H2;/q2*-1;+2
InChIKeyNNHAYBCDWPOKSE-UHFFFAOYSA-N
XLogP5.04
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.77
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) with MolForge

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Related Compounds

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CID 59783806
copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
CID 54610798
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)
CID 156595532
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
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
magnesium;2-methylpiperidin-1-ide;chloride
CID 140709501
cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate
CID 59061592
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten
CID 155621611
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
CID 175877016
CID 175877016
cyclopentylcyclopentane;phosphane
CID 174792657

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)?
The IUPAC name of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) (CID 11033935) is magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide).
What is the SMILES notation for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)?
The canonical SMILES for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) is C1CCC2[N-]CCCC2C1.C1CCC2[N-]CCCC2C1.[Mg+2].
What is the InChIKey of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)?
The InChIKey is NNHAYBCDWPOKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N.Mg/c2*1-2-6-9-8(4-1)5-3-7-10-9;/h2*8-9H,1-7H2;/q2*-1;+2.
What are the key properties of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)?
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) has a molecular weight of 300.77 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide) is sourced from PubChem (CID 11033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).