N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C12H24IN3 — CID 111744979

IUPACN'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C12H23N3.HI/c1-2-14-11(13)15-9-8-12(10-15)6-4-3-5-7-12;/h2-10H2,1H3,(H2,13,14);1H
InChIKeyLNRSDWMGWNVTTC-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.60
Rot. Bonds1

About N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111744979) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111744979
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC NameN'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C12H23N3.HI/c1-2-14-11(13)15-9-8-12(10-15)6-4-3-5-7-12;/h2-10H2,1H3,(H2,13,14);1H
InChIKeyLNRSDWMGWNVTTC-UHFFFAOYSA-N
XLogP2.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111744979) is N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is CC/N=C(\N)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is LNRSDWMGWNVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-2-14-11(13)15-9-8-12(10-15)6-4-3-5-7-12;/h2-10H2,1H3,(H2,13,14);1H.
What are the key properties of N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111744979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).