1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide

C9H18IN — CID 10635515

IUPAC1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide
SMILESCC12CCC[N+](C)(CC1)C2.[I-]
InChIInChI=1S/C9H18N.HI/c1-9-4-3-6-10(2,8-9)7-5-9;/h3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyCVVLQHDGWNUSFV-UHFFFAOYSA-M
MW267.15 g/mol
LogP-1.36
Rot. Bonds

About 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide

1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide (PubChem CID 10635515) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide.

Molecular Properties

Compound Name1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide
PubChem CID10635515
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide
SMILESCC12CCC[N+](C)(CC1)C2.[I-]
InChIInChI=1S/C9H18N.HI/c1-9-4-3-6-10(2,8-9)7-5-9;/h3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyCVVLQHDGWNUSFV-UHFFFAOYSA-M
XLogP-1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 5-1.36
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide?
The IUPAC name of 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide (CID 10635515) is 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide.
What is the SMILES notation for 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide?
The canonical SMILES for 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide is CC12CCC[N+](C)(CC1)C2.[I-].
What is the InChIKey of 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide?
The InChIKey is CVVLQHDGWNUSFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N.HI/c1-9-4-3-6-10(2,8-9)7-5-9;/h3-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide?
1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide has a molecular weight of 267.15 g/mol, XLogP of -1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1-azoniabicyclo[3.2.1]octane iodide is sourced from PubChem (CID 10635515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).