(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane

C11H20IN — CID 145095318

IUPAC(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane
SMILESC[C@H]1CCCCN(I)C12CCCC2
InChIInChI=1S/C11H20IN/c1-10-6-2-5-9-13(12)11(10)7-3-4-8-11/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeySJTWLHIJUKMVBQ-JTQLQIEISA-N
MW293.19 g/mol
LogP3.77
Rot. Bonds

About (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane

(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane (PubChem CID 145095318) has the molecular formula C11H20IN and a molecular weight of 293.19 g/mol. Its IUPAC name is (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane.

Molecular Properties

Compound Name(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane
PubChem CID145095318
Molecular FormulaC11H20IN
Molecular Weight293.19 g/mol
Exact Mass293.06
IUPAC Name(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane
SMILESC[C@H]1CCCCN(I)C12CCCC2
InChIInChI=1S/C11H20IN/c1-10-6-2-5-9-13(12)11(10)7-3-4-8-11/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeySJTWLHIJUKMVBQ-JTQLQIEISA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane?
The IUPAC name of (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane (CID 145095318) is (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane.
What is the SMILES notation for (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane?
The canonical SMILES for (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane is C[C@H]1CCCCN(I)C12CCCC2.
What is the InChIKey of (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane?
The InChIKey is SJTWLHIJUKMVBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20IN/c1-10-6-2-5-9-13(12)11(10)7-3-4-8-11/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane?
(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane has a molecular weight of 293.19 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane is sourced from PubChem (CID 145095318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).