4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane

C8H15IN2 — CID 170625298

IUPAC4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane
SMILESCCN1CCN(I)CC12CC2
InChIInChI=1S/C8H15IN2/c1-2-10-5-6-11(9)7-8(10)3-4-8/h2-7H2,1H3
InChIKeyRHMZSXFZOICORR-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.51
Rot. Bonds1

About 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane

4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane (PubChem CID 170625298) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane
PubChem CID170625298
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane
SMILESCCN1CCN(I)CC12CC2
InChIInChI=1S/C8H15IN2/c1-2-10-5-6-11(9)7-8(10)3-4-8/h2-7H2,1H3
InChIKeyRHMZSXFZOICORR-UHFFFAOYSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
CID 166882224
1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202030
1,6-diethyl-1,6-diazaspiro[4.4]nonane
CID 89371000
ethane;1-ethyl-1,7-diazaspiro[3.5]nonane
CID 156709724
1-ethyl-3-iodoimidazolidine
CID 90298671
1-ethyl-1,7-diazaspiro[3.4]octane
CID 172607243
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718
1,4-diethylpiperazine-2,2-diol
CID 67913900
1-ethyl-8-oxa-1-azaspiro[5.5]undecane
CID 166896589
ethane;6-ethyl-2-oxa-6-azaspiro[4.5]decane
CID 153356983
4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 170953709

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane (CID 170625298) is 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane is CCN1CCN(I)CC12CC2.
What is the InChIKey of 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane?
The InChIKey is RHMZSXFZOICORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c1-2-10-5-6-11(9)7-8(10)3-4-8/h2-7H2,1H3.
What are the key properties of 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane?
4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane has a molecular weight of 266.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-iodo-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 170625298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).