7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane

C10H20IN2+ — CID 166077514

IUPAC7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane
SMILESCC(C)(I)N1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C10H19IN2/c1-9(2,11)13-5-3-10(4-6-13)7-12-8-10/h12H,3-8H2,1-2H3/p+1
InChIKeyVUHAOXUIVFMEFJ-UHFFFAOYSA-O
MW295.19 g/mol
LogP0.82
Rot. Bonds1

About 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane

7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane (PubChem CID 166077514) has the molecular formula C10H20IN2+ and a molecular weight of 295.19 g/mol. Its IUPAC name is 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane
PubChem CID166077514
Molecular FormulaC10H20IN2+
Molecular Weight295.19 g/mol
Exact Mass295.07
IUPAC Name7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane
SMILESCC(C)(I)N1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C10H19IN2/c1-9(2,11)13-5-3-10(4-6-13)7-12-8-10/h12H,3-8H2,1-2H3/p+1
InChIKeyVUHAOXUIVFMEFJ-UHFFFAOYSA-O
XLogP0.82
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 50.82
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane?
The IUPAC name of 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane (CID 166077514) is 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane?
The canonical SMILES for 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane is CC(C)(I)N1CCC2(CC1)C[NH2+]C2.
What is the InChIKey of 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane?
The InChIKey is VUHAOXUIVFMEFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19IN2/c1-9(2,11)13-5-3-10(4-6-13)7-12-8-10/h12H,3-8H2,1-2H3/p+1.
What are the key properties of 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane?
7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane has a molecular weight of 295.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-iodopropan-2-yl)-7-aza-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 166077514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).