1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide

C8H16IN — CID 15853634

IUPAC1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide
SMILESCC12CC[N+](C)(CC1)C2.[I-]
InChIInChI=1S/C8H16N.HI/c1-8-3-5-9(2,7-8)6-4-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyBZODVHJVKJXJCZ-UHFFFAOYSA-M
MW253.13 g/mol
LogP-1.75
Rot. Bonds

About 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide

1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide (PubChem CID 15853634) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide.

Molecular Properties

Compound Name1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide
PubChem CID15853634
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide
SMILESCC12CC[N+](C)(CC1)C2.[I-]
InChIInChI=1S/C8H16N.HI/c1-8-3-5-9(2,7-8)6-4-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyBZODVHJVKJXJCZ-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-azoniabicyclo[2.2.1]heptane
CID 12081940
2,8-Dimethyl-2,8-diazaspiro[4.5]decane
CID 22975631
Trimethyl-[(1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl)methyl]silane iodide
CID 10958322
(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane
CID 11400818
2,4,6-Trimethyl-1-azabicyclo[2.2.1]heptane
CID 12132020
(2R,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane
CID 93499836
4-Methyl-1-azabicyclo[2.2.1]heptane
CID 11267799
2-Ethyl-8-methyl-2,8-diazaspiro[4.5]decane
CID 12371188
2,7-Dimethyl-2,7-diazaspiro[4.4]nonane
CID 12691887
1,4-Dimethyl-1-azoniabicyclo[2.2.1]heptane
CID 15853635
4-Ethyl-1-methyl-1-azoniabicyclo[2.2.1]heptane
CID 20694743
3-Tert-butyl-1-azabicyclo[2.2.1]heptane
CID 20754444

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide?
The IUPAC name of 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide (CID 15853634) is 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide.
What is the SMILES notation for 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide?
The canonical SMILES for 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide is CC12CC[N+](C)(CC1)C2.[I-].
What is the InChIKey of 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide?
The InChIKey is BZODVHJVKJXJCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.HI/c1-8-3-5-9(2,7-8)6-4-8;/h3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide?
1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide has a molecular weight of 253.13 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1-azoniabicyclo[2.2.1]heptane iodide is sourced from PubChem (CID 15853634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).