N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C19H34IN5O — CID 111745251

IUPACN'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C(C)C)no1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C19H33N5O.HI/c1-15(2)17-22-16(25-23-17)8-7-12-21-18(20-3)24-13-11-19(14-24)9-5-4-6-10-19;/h15H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyXGQXBONJWQLTMK-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.98
Rot. Bonds5

About N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111745251) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111745251
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC NameN'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C(C)C)no1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C19H33N5O.HI/c1-15(2)17-22-16(25-23-17)8-7-12-21-18(20-3)24-13-11-19(14-24)9-5-4-6-10-19;/h15H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyXGQXBONJWQLTMK-UHFFFAOYSA-N
XLogP3.98
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109489443
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744613
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-carboximidamide
CID 111748059
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145354
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N',2,2-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487932
2-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111080327
2-methyl-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316333
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111745251) is N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCCCc1nc(C(C)C)no1)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is XGQXBONJWQLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-15(2)17-22-16(25-23-17)8-7-12-21-18(20-3)24-13-11-19(14-24)9-5-4-6-10-19;/h15H,4-14H2,1-3H3,(H,20,21);1H.
What are the key properties of N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).