magnesium;1-methanidyl-3-propylcyclopentane;bromide

C9H17BrMg — CID 88767379

IUPACmagnesium;1-methanidyl-3-propylcyclopentane;bromide
SMILES[Br-].[CH2-]C1CCC(CCC)C1.[Mg+2]
InChIInChI=1S/C9H17.BrH.Mg/c1-3-4-9-6-5-8(2)7-9;;/h8-9H,2-7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPYHYYUBTVGUQEZ-UHFFFAOYSA-M
MW229.44 g/mol
LogP-0.34
Rot. Bonds2

About magnesium;1-methanidyl-3-propylcyclopentane;bromide

magnesium;1-methanidyl-3-propylcyclopentane;bromide (PubChem CID 88767379) has the molecular formula C9H17BrMg and a molecular weight of 229.44 g/mol. Its IUPAC name is magnesium;1-methanidyl-3-propylcyclopentane;bromide.

Molecular Properties

Compound Namemagnesium;1-methanidyl-3-propylcyclopentane;bromide
PubChem CID88767379
Molecular FormulaC9H17BrMg
Molecular Weight229.44 g/mol
Exact Mass228.04
IUPAC Namemagnesium;1-methanidyl-3-propylcyclopentane;bromide
SMILES[Br-].[CH2-]C1CCC(CCC)C1.[Mg+2]
InChIInChI=1S/C9H17.BrH.Mg/c1-3-4-9-6-5-8(2)7-9;;/h8-9H,2-7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPYHYYUBTVGUQEZ-UHFFFAOYSA-M
XLogP-0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
3-propylbicyclo[4.2.0]octane
CID 145186098
1-(iodomethyl)-3-propylcyclopentane
CID 148554374
(3-propylcyclopentyl)methanamine
CID 83635339
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
ethane;propane;propylcyclopropane
CID 145406182
1-ethyl-3-methanidylcyclopentane;uranium
CID 163419703
1,4-dipropylcyclohexane;pentane
CID 90867354
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1-chloro-3-propylcyclohexane
CID 64516368
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methanidyl-3-propylcyclopentane;bromide?
The IUPAC name of magnesium;1-methanidyl-3-propylcyclopentane;bromide (CID 88767379) is magnesium;1-methanidyl-3-propylcyclopentane;bromide.
What is the SMILES notation for magnesium;1-methanidyl-3-propylcyclopentane;bromide?
The canonical SMILES for magnesium;1-methanidyl-3-propylcyclopentane;bromide is [Br-].[CH2-]C1CCC(CCC)C1.[Mg+2].
What is the InChIKey of magnesium;1-methanidyl-3-propylcyclopentane;bromide?
The InChIKey is PYHYYUBTVGUQEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17.BrH.Mg/c1-3-4-9-6-5-8(2)7-9;;/h8-9H,2-7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methanidyl-3-propylcyclopentane;bromide?
magnesium;1-methanidyl-3-propylcyclopentane;bromide has a molecular weight of 229.44 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methanidyl-3-propylcyclopentane;bromide is sourced from PubChem (CID 88767379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).