10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane

C12H23INO- — CID 59286090

IUPAC10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane
SMILESC[I-]OC1CCC2CCCC(C1)CN2C
InChIInChI=1S/C12H23INO/c1-13-15-12-7-6-11-5-3-4-10(8-12)9-14(11)2/h10-12H,3-9H2,1-2H3/q-1
InChIKeyRLCRUYWPYJLQOQ-UHFFFAOYSA-N
MW324.23 g/mol
LogP-0.71
Rot. Bonds2

About 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane

10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane (PubChem CID 59286090) has the molecular formula C12H23INO- and a molecular weight of 324.23 g/mol. Its IUPAC name is 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane.

Molecular Properties

Compound Name10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane
PubChem CID59286090
Molecular FormulaC12H23INO-
Molecular Weight324.23 g/mol
Exact Mass324.08
IUPAC Name10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane
SMILESC[I-]OC1CCC2CCCC(C1)CN2C
InChIInChI=1S/C12H23INO/c1-13-15-12-7-6-11-5-3-4-10(8-12)9-14(11)2/h10-12H,3-9H2,1-2H3/q-1
InChIKeyRLCRUYWPYJLQOQ-UHFFFAOYSA-N
XLogP-0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane?
The IUPAC name of 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane (CID 59286090) is 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane.
What is the SMILES notation for 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane?
The canonical SMILES for 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane is C[I-]OC1CCC2CCCC(C1)CN2C.
What is the InChIKey of 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane?
The InChIKey is RLCRUYWPYJLQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23INO/c1-13-15-12-7-6-11-5-3-4-10(8-12)9-14(11)2/h10-12H,3-9H2,1-2H3/q-1.
What are the key properties of 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane?
10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane has a molecular weight of 324.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-methyliodanuidyloxy-10-azabicyclo[4.3.2]undecane is sourced from PubChem (CID 59286090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).