iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide

C8H14I2N2 — CID 158947116

IUPACiodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide
SMILESCI.C[n+]1ccccc1CN.[I-]
InChIInChI=1S/C7H11N2.CH3I.HI/c1-9-5-3-2-4-7(9)6-8;1-2;/h2-5H,6,8H2,1H3;1H3;1H/q+1;;/p-1
InChIKeyROBBGLMLAWGKHX-UHFFFAOYSA-M
MW392.02 g/mol
LogP-1.98
Rot. Bonds1

About iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide

iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide (PubChem CID 158947116) has the molecular formula C8H14I2N2 and a molecular weight of 392.02 g/mol. Its IUPAC name is iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide.

Molecular Properties

Compound Nameiodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide
PubChem CID158947116
Molecular FormulaC8H14I2N2
Molecular Weight392.02 g/mol
Exact Mass391.92
IUPAC Nameiodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide
SMILESCI.C[n+]1ccccc1CN.[I-]
InChIInChI=1S/C7H11N2.CH3I.HI/c1-9-5-3-2-4-7(9)6-8;1-2;/h2-5H,6,8H2,1H3;1H3;1H/q+1;;/p-1
InChIKeyROBBGLMLAWGKHX-UHFFFAOYSA-M
XLogP-1.98
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.02
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
CID 10826863
tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
CID 139102151
2-butyl-1-methylpyridin-1-ium chloride
CID 66655977
1-methyl-2-[2-[2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]pyridin-1-ium
CID 139533756
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
2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium
CID 852380

Frequently Asked Questions

What is the IUPAC name of iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide?
The IUPAC name of iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide (CID 158947116) is iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide.
What is the SMILES notation for iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide?
The canonical SMILES for iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide is CI.C[n+]1ccccc1CN.[I-].
What is the InChIKey of iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide?
The InChIKey is ROBBGLMLAWGKHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2.CH3I.HI/c1-9-5-3-2-4-7(9)6-8;1-2;/h2-5H,6,8H2,1H3;1H3;1H/q+1;;/p-1.
What are the key properties of iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide?
iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide has a molecular weight of 392.02 g/mol, XLogP of -1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide is sourced from PubChem (CID 158947116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).