5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane

C10H18IN — CID 129299271

IUPAC5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)C1CCN(I)CC12CC2
InChIInChI=1S/C10H18IN/c1-8(2)9-3-6-12(11)7-10(9)4-5-10/h8-9H,3-7H2,1-2H3
InChIKeyRJIOOUCIECHTFL-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.09
Rot. Bonds1

About 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane

5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane (PubChem CID 129299271) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane
PubChem CID129299271
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)C1CCN(I)CC12CC2
InChIInChI=1S/C10H18IN/c1-8(2)9-3-6-12(11)7-10(9)4-5-10/h8-9H,3-7H2,1-2H3
InChIKeyRJIOOUCIECHTFL-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.09
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

8-propan-2-yl-5-azaspiro[2.5]octan-5-amine
CID 174305339
7-propan-2-ylspiro[2.4]heptane
CID 154526076
7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane
CID 166925892
6,8-di(propan-2-yl)-6-azaspiro[3.4]octane
CID 177092179
9-propan-2-ylspiro[3.5]nonane
CID 140652255
(4R)-1-iodo-3,3-dimethylpiperidin-4-amine
CID 162525983
1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
CID 58395354
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
(7S)-5-iodo-5-azaspiro[2.4]heptan-7-amine
CID 155006440
2-methyl-1,2,3-tri(propan-2-yl)pyrrolidine
CID 130250470
(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437

Frequently Asked Questions

What is the IUPAC name of 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane?
The IUPAC name of 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane (CID 129299271) is 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane?
The canonical SMILES for 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane is CC(C)C1CCN(I)CC12CC2.
What is the InChIKey of 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane?
The InChIKey is RJIOOUCIECHTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c1-8(2)9-3-6-12(11)7-10(9)4-5-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane?
5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane has a molecular weight of 279.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane is sourced from PubChem (CID 129299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).