tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane

C13H24GeN+ — CID 139102151

IUPACtert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
SMILESC[n+]1ccccc1C[Ge](C)(C)C(C)(C)C
InChIInChI=1S/C13H24GeN/c1-13(2,3)14(4,5)11-12-9-7-8-10-15(12)6/h7-10H,11H2,1-6H3/q+1
InChIKeyIRMRNEFTSMPGSI-UHFFFAOYSA-N
MW266.95 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane

tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane (PubChem CID 139102151) has the molecular formula C13H24GeN+ and a molecular weight of 266.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
PubChem CID139102151
Molecular FormulaC13H24GeN+
Molecular Weight266.95 g/mol
Exact Mass268.11
IUPAC Nametert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
SMILESC[n+]1ccccc1C[Ge](C)(C)C(C)(C)C
InChIInChI=1S/C13H24GeN/c1-13(2,3)14(4,5)11-12-9-7-8-10-15(12)6/h7-10H,11H2,1-6H3/q+1
InChIKeyIRMRNEFTSMPGSI-UHFFFAOYSA-N
XLogP3.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.95
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
CID 10826863
iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide
CID 158947116
1-methyl-2-[2-[2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]pyridin-1-ium
CID 139533756
2-butyl-1-methylpyridin-1-ium chloride
CID 66655977
1-methyl-2-(phenylselanylmethyl)pyridin-1-ium
CID 51358024
1-(1-methylpyridin-1-ium-2-yl)propan-2-one;hydrobromide
CID 126957614
1-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
1-methyl-2-(4-methylpentyl)pyridin-1-ium
CID 58357284
bis(dimethyl-bis[(1-methylpyridin-1-ium-2-yl)methyl]azanium);pentane
CID 90993522
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane?
The IUPAC name of tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane (CID 139102151) is tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane.
What is the SMILES notation for tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane?
The canonical SMILES for tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane is C[n+]1ccccc1C[Ge](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane?
The InChIKey is IRMRNEFTSMPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24GeN/c1-13(2,3)14(4,5)11-12-9-7-8-10-15(12)6/h7-10H,11H2,1-6H3/q+1.
What are the key properties of tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane?
tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane has a molecular weight of 266.95 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane is sourced from PubChem (CID 139102151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).