(2-chloro-2-methylpropyl)-trimethylazanium iodide

C7H17ClIN — CID 2780485

IUPAC(2-chloro-2-methylpropyl)-trimethylazanium iodide
SMILESCC(C)(Cl)C[N+](C)(C)C.[I-]
InChIInChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyXJLLAYGRCWETDG-UHFFFAOYSA-M
MW277.58 g/mol
LogP-1.29
Rot. Bonds2

About (2-chloro-2-methylpropyl)-trimethylazanium iodide

(2-chloro-2-methylpropyl)-trimethylazanium iodide (PubChem CID 2780485) has the molecular formula C7H17ClIN and a molecular weight of 277.58 g/mol. Its IUPAC name is (2-chloro-2-methylpropyl)-trimethylazanium iodide.

Molecular Properties

Compound Name(2-chloro-2-methylpropyl)-trimethylazanium iodide
PubChem CID2780485
Molecular FormulaC7H17ClIN
Molecular Weight277.58 g/mol
Exact Mass277.01
IUPAC Name(2-chloro-2-methylpropyl)-trimethylazanium iodide
SMILESCC(C)(Cl)C[N+](C)(C)C.[I-]
InChIInChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyXJLLAYGRCWETDG-UHFFFAOYSA-M
XLogP-1.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-4-methylpentyl)-trimethylazanium
CID 2780483
bis(bis(2,2-dimethylpropyl)-dimethylazanium);bis(2,2-dimethylpropyl(trimethyl)azanium);methane;difluoride;dihydroxide;dihydrofluoride
CID 161225679
2-chloro-2-methylbutane;methanol
CID 88619841
(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium
CID 123461566
trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium
CID 141084760
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254
(3-hydroxy-3-methylbutyl)-trimethylazanium bromide
CID 71333434
trimethyl-(3-methyl-3-silylbutyl)azanium chloride
CID 175444852
chloromethyl(trimethyl)azanium;germane
CID 174422995
trimethyl(trichloromethyl)azanium bromide
CID 174952427
2,2-dichloropropane;zinc
CID 162195997
(2-acetyl-2-hydroxy-3-oxobutyl)-trimethylazanium
CID 18364704

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-methylpropyl)-trimethylazanium iodide?
The IUPAC name of (2-chloro-2-methylpropyl)-trimethylazanium iodide (CID 2780485) is (2-chloro-2-methylpropyl)-trimethylazanium iodide.
What is the SMILES notation for (2-chloro-2-methylpropyl)-trimethylazanium iodide?
The canonical SMILES for (2-chloro-2-methylpropyl)-trimethylazanium iodide is CC(C)(Cl)C[N+](C)(C)C.[I-].
What is the InChIKey of (2-chloro-2-methylpropyl)-trimethylazanium iodide?
The InChIKey is XJLLAYGRCWETDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1.
What are the key properties of (2-chloro-2-methylpropyl)-trimethylazanium iodide?
(2-chloro-2-methylpropyl)-trimethylazanium iodide has a molecular weight of 277.58 g/mol, XLogP of -1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-methylpropyl)-trimethylazanium iodide is sourced from PubChem (CID 2780485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).