(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane

C9H16IN — CID 167229580

IUPAC(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane
SMILESCC[C@H]1CCC2(CC2)CN1I
InChIInChI=1S/C9H16IN/c1-2-8-3-4-9(5-6-9)7-11(8)10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyHCISRQWITFEKJO-QMMMGPOBSA-N
MW265.14 g/mol
LogP2.99
Rot. Bonds1

About (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane

(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane (PubChem CID 167229580) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane
PubChem CID167229580
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Name(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane
SMILESCC[C@H]1CCC2(CC2)CN1I
InChIInChI=1S/C9H16IN/c1-2-8-3-4-9(5-6-9)7-11(8)10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyHCISRQWITFEKJO-QMMMGPOBSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane?
The IUPAC name of (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane (CID 167229580) is (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane.
What is the SMILES notation for (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane?
The canonical SMILES for (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane is CC[C@H]1CCC2(CC2)CN1I.
What is the InChIKey of (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane?
The InChIKey is HCISRQWITFEKJO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16IN/c1-2-8-3-4-9(5-6-9)7-11(8)10/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane?
(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane has a molecular weight of 265.14 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane is sourced from PubChem (CID 167229580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).