N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C17H35IN4 — CID 111733230

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCC(C)N(C)CCN/C(=N\C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C17H34N4.HI/c1-5-15(2)20(4)13-11-19-16(18-3)21-12-10-17(14-21)8-6-7-9-17;/h15H,5-14H2,1-4H3,(H,18,19);1H
InChIKeyAJKFEVSAUWIANN-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111733230) has the molecular formula C17H35IN4 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111733230
Molecular FormulaC17H35IN4
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCC(C)N(C)CCN/C(=N\C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C17H34N4.HI/c1-5-15(2)20(4)13-11-19-16(18-3)21-12-10-17(14-21)8-6-7-9-17;/h15H,5-14H2,1-4H3,(H,18,19);1H
InChIKeyAJKFEVSAUWIANN-UHFFFAOYSA-N
XLogP3.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111733230) is N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is CCC(C)N(C)CCN/C(=N\C)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is AJKFEVSAUWIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4.HI/c1-5-15(2)20(4)13-11-19-16(18-3)21-12-10-17(14-21)8-6-7-9-17;/h15H,5-14H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 422.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111733230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).