N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C13H24IN3 — CID 111732530

IUPACN-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C13H23N3.HI/c1-14-12(15-11-4-5-11)16-9-8-13(10-16)6-2-3-7-13;/h11H,2-10H2,1H3,(H,14,15);1H
InChIKeyZMRLOCMETILCTD-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.61
Rot. Bonds1

About N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111732530) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111732530
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C13H23N3.HI/c1-14-12(15-11-4-5-11)16-9-8-13(10-16)6-2-3-7-13;/h11H,2-10H2,1H3,(H,14,15);1H
InChIKeyZMRLOCMETILCTD-UHFFFAOYSA-N
XLogP2.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.61
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-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111732530) is N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is C/N=C(/NC1CC1)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is ZMRLOCMETILCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.HI/c1-14-12(15-11-4-5-11)16-9-8-13(10-16)6-2-3-7-13;/h11H,2-10H2,1H3,(H,14,15);1H.
What are the key properties of N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).