8-ethyl-7-iodo-7-azaspiro[3.5]nonane

C10H18IN — CID 118971456

IUPAC8-ethyl-7-iodo-7-azaspiro[3.5]nonane
SMILESCCC1CC2(CCC2)CCN1I
InChIInChI=1S/C10H18IN/c1-2-9-8-10(4-3-5-10)6-7-12(9)11/h9H,2-8H2,1H3
InChIKeyNHWYJMOWSWKJJY-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.38
Rot. Bonds1

About 8-ethyl-7-iodo-7-azaspiro[3.5]nonane

8-ethyl-7-iodo-7-azaspiro[3.5]nonane (PubChem CID 118971456) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 8-ethyl-7-iodo-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-ethyl-7-iodo-7-azaspiro[3.5]nonane
PubChem CID118971456
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name8-ethyl-7-iodo-7-azaspiro[3.5]nonane
SMILESCCC1CC2(CCC2)CCN1I
InChIInChI=1S/C10H18IN/c1-2-9-8-10(4-3-5-10)6-7-12(9)11/h9H,2-8H2,1H3
InChIKeyNHWYJMOWSWKJJY-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 8-ethyl-7-iodo-7-azaspiro[3.5]nonane?
The IUPAC name of 8-ethyl-7-iodo-7-azaspiro[3.5]nonane (CID 118971456) is 8-ethyl-7-iodo-7-azaspiro[3.5]nonane.
What is the SMILES notation for 8-ethyl-7-iodo-7-azaspiro[3.5]nonane?
The canonical SMILES for 8-ethyl-7-iodo-7-azaspiro[3.5]nonane is CCC1CC2(CCC2)CCN1I.
What is the InChIKey of 8-ethyl-7-iodo-7-azaspiro[3.5]nonane?
The InChIKey is NHWYJMOWSWKJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c1-2-9-8-10(4-3-5-10)6-7-12(9)11/h9H,2-8H2,1H3.
What are the key properties of 8-ethyl-7-iodo-7-azaspiro[3.5]nonane?
8-ethyl-7-iodo-7-azaspiro[3.5]nonane has a molecular weight of 279.16 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-iodo-7-azaspiro[3.5]nonane is sourced from PubChem (CID 118971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).