6-(iodomethyl)-6-azaspiro[3.4]octane

C8H14IN — CID 174289662

IUPAC6-(iodomethyl)-6-azaspiro[3.4]octane
SMILESICN1CCC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-7-10-5-4-8(6-10)2-1-3-8/h1-7H2
InChIKeyIMVBOLAGBFDFSP-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.25
Rot. Bonds1

About 6-(iodomethyl)-6-azaspiro[3.4]octane

6-(iodomethyl)-6-azaspiro[3.4]octane (PubChem CID 174289662) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 6-(iodomethyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(iodomethyl)-6-azaspiro[3.4]octane
PubChem CID174289662
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name6-(iodomethyl)-6-azaspiro[3.4]octane
SMILESICN1CCC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-7-10-5-4-8(6-10)2-1-3-8/h1-7H2
InChIKeyIMVBOLAGBFDFSP-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
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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Related Compounds

2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
CID 130986180
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
[1-(2-azaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]methanamine
CID 166178279
6-(2-fluoroethyl)-6-azaspiro[3.5]nonane
CID 131131774
(2S)-1-(2-azaspiro[4.5]decan-2-yl)propan-2-amine
CID 130516410
7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
CID 131237372
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
6-iodo-6-azaspiro[3.5]nonane
CID 129299267
2-(2-azaspiro[4.4]nonan-2-ylmethyl)prop-2-enoic acid
CID 130516454
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-(iodomethyl)-6-azaspiro[3.4]octane (CID 174289662) is 6-(iodomethyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(iodomethyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(iodomethyl)-6-azaspiro[3.4]octane is ICN1CCC2(CCC2)C1.
What is the InChIKey of 6-(iodomethyl)-6-azaspiro[3.4]octane?
The InChIKey is IMVBOLAGBFDFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c9-7-10-5-4-8(6-10)2-1-3-8/h1-7H2.
What are the key properties of 6-(iodomethyl)-6-azaspiro[3.4]octane?
6-(iodomethyl)-6-azaspiro[3.4]octane has a molecular weight of 251.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 174289662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).