N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C16H32IN3 — CID 111996150

IUPACN-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C16H31N3.HI/c1-4-14(5-2)12-18-15(17-3)19-11-10-16(13-19)8-6-7-9-16;/h14H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyOIUNQSXUWZYNJN-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.88
Rot. Bonds4

About N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111996150) has the molecular formula C16H32IN3 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111996150
Molecular FormulaC16H32IN3
Molecular Weight393.36 g/mol
Exact Mass393.16
IUPAC NameN-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C16H31N3.HI/c1-4-14(5-2)12-18-15(17-3)19-11-10-16(13-19)8-6-7-9-16;/h14H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyOIUNQSXUWZYNJN-UHFFFAOYSA-N
XLogP3.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.88
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-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111996150) is N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is CCC(CC)CN/C(=N\C)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is OIUNQSXUWZYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3.HI/c1-4-14(5-2)12-18-15(17-3)19-11-10-16(13-19)8-6-7-9-16;/h14H,4-13H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 393.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111996150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).