2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane

C12H22IN — CID 166749395

IUPAC2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CCCCC2)CN1I
InChIInChI=1S/C12H22IN/c1-10(2)11-8-12(9-14(11)13)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyLHCUGSJTXDKQSL-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.02
Rot. Bonds1

About 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane

2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane (PubChem CID 166749395) has the molecular formula C12H22IN and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane
PubChem CID166749395
Molecular FormulaC12H22IN
Molecular Weight307.22 g/mol
Exact Mass307.08
IUPAC Name2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CCCCC2)CN1I
InChIInChI=1S/C12H22IN/c1-10(2)11-8-12(9-14(11)13)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyLHCUGSJTXDKQSL-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.02
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

(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
2,3-di(propan-2-yl)-2-azaspiro[4.5]decane
CID 171608743
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
CID 164942032
6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129275808
(3S)-2-[5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]pentan-2-yl]-3-propan-2-yl-2-azaspiro[4.4]nonane
CID 126542652
2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 164847437
(8R)-6-methyl-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129290560
3-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 91210908
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
1-iodo-3,3-dimethyl-5-propan-2-yl-1,3-azasilolidine
CID 174009095
5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane?
The IUPAC name of 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane (CID 166749395) is 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane is CC(C)C1CC2(CCCCC2)CN1I.
What is the InChIKey of 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane?
The InChIKey is LHCUGSJTXDKQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22IN/c1-10(2)11-8-12(9-14(11)13)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane?
2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane has a molecular weight of 307.22 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane is sourced from PubChem (CID 166749395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).