4-iodo-7-methyl-4-azaspiro[2.5]octane

C8H14IN — CID 145095628

IUPAC4-iodo-7-methyl-4-azaspiro[2.5]octane
SMILESCC1CCN(I)C2(CC2)C1
InChIInChI=1S/C8H14IN/c1-7-2-5-10(9)8(6-7)3-4-8/h7H,2-6H2,1H3
InChIKeyWDXMHSDWNCPMIG-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.60
Rot. Bonds

About 4-iodo-7-methyl-4-azaspiro[2.5]octane

4-iodo-7-methyl-4-azaspiro[2.5]octane (PubChem CID 145095628) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 4-iodo-7-methyl-4-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-iodo-7-methyl-4-azaspiro[2.5]octane
PubChem CID145095628
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name4-iodo-7-methyl-4-azaspiro[2.5]octane
SMILESCC1CCN(I)C2(CC2)C1
InChIInChI=1S/C8H14IN/c1-7-2-5-10(9)8(6-7)3-4-8/h7H,2-6H2,1H3
InChIKeyWDXMHSDWNCPMIG-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.60
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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Related Compounds

(9R)-6-iodo-9-methyl-6-azaspiro[4.6]undecane
CID 145095630
4-cyclobutyl-7-methyl-4-azaspiro[2.5]octane
CID 168902465
(8S)-5-cyclopropyl-8-methyl-5-azaspiro[3.5]nonane;ethane
CID 169125922
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
CID 145095351
8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
CID 172630127
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
1-iodo-3-methylcyclopentan-1-ol
CID 142079535
(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane
CID 145095406
(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
CID 177123867

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methyl-4-azaspiro[2.5]octane?
The IUPAC name of 4-iodo-7-methyl-4-azaspiro[2.5]octane (CID 145095628) is 4-iodo-7-methyl-4-azaspiro[2.5]octane.
What is the SMILES notation for 4-iodo-7-methyl-4-azaspiro[2.5]octane?
The canonical SMILES for 4-iodo-7-methyl-4-azaspiro[2.5]octane is CC1CCN(I)C2(CC2)C1.
What is the InChIKey of 4-iodo-7-methyl-4-azaspiro[2.5]octane?
The InChIKey is WDXMHSDWNCPMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c1-7-2-5-10(9)8(6-7)3-4-8/h7H,2-6H2,1H3.
What are the key properties of 4-iodo-7-methyl-4-azaspiro[2.5]octane?
4-iodo-7-methyl-4-azaspiro[2.5]octane has a molecular weight of 251.11 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methyl-4-azaspiro[2.5]octane is sourced from PubChem (CID 145095628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).