1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol

C13H25IN2O — CID 175628880

IUPAC1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC2(CCCN(I)C2)CC1
InChIInChI=1S/C13H25IN2O/c1-12(2,17)10-15-8-5-13(6-9-15)4-3-7-16(14)11-13/h17H,3-11H2,1-2H3
InChIKeyWRFZNTLROBTWGQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP2.29
Rot. Bonds2

About 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol

1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol (PubChem CID 175628880) has the molecular formula C13H25IN2O and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol
PubChem CID175628880
Molecular FormulaC13H25IN2O
Molecular Weight352.26 g/mol
Exact Mass352.10
IUPAC Name1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC2(CCCN(I)C2)CC1
InChIInChI=1S/C13H25IN2O/c1-12(2,17)10-15-8-5-13(6-9-15)4-3-7-16(14)11-13/h17H,3-11H2,1-2H3
InChIKeyWRFZNTLROBTWGQ-UHFFFAOYSA-N
XLogP2.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol (CID 175628880) is 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCC2(CCCN(I)C2)CC1.
What is the InChIKey of 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol?
The InChIKey is WRFZNTLROBTWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IN2O/c1-12(2,17)10-15-8-5-13(6-9-15)4-3-7-16(14)11-13/h17H,3-11H2,1-2H3.
What are the key properties of 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol?
1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol has a molecular weight of 352.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 175628880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).