N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide

C14H24IN3O2 — CID 109377986

IUPACN'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1C2CCOC2C12CCC2)N1CCOCC1
InChIInChI=1S/C14H23N3O2.HI/c15-13(17-5-8-18-9-6-17)16-11-10-2-7-19-12(10)14(11)3-1-4-14;/h10-12H,1-9H2,(H2,15,16);1H
InChIKeyMVLFXILMKQMALK-UHFFFAOYSA-N
MW393.27 g/mol
LogP1.21
Rot. Bonds1

About N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide

N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 109377986) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide
PubChem CID109377986
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC NameN'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1C2CCOC2C12CCC2)N1CCOCC1
InChIInChI=1S/C14H23N3O2.HI/c15-13(17-5-8-18-9-6-17)16-11-10-2-7-19-12(10)14(11)3-1-4-14;/h10-12H,1-9H2,(H2,15,16);1H
InChIKeyMVLFXILMKQMALK-UHFFFAOYSA-N
XLogP1.21
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylazepane-1-carboximidamide
CID 109394339
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
CID 119148238
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 119148239
1-cyclopropyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109377423
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111815663
1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109394409
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109378029
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394358
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119148272
2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 109378062
1-(3,4-dimethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109394367
N',3,3-trimethyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 109395324

Frequently Asked Questions

What is the IUPAC name of N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide (CID 109377986) is N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\C1C2CCOC2C12CCC2)N1CCOCC1.
What is the InChIKey of N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MVLFXILMKQMALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c15-13(17-5-8-18-9-6-17)16-11-10-2-7-19-12(10)14(11)3-1-4-14;/h10-12H,1-9H2,(H2,15,16);1H.
What are the key properties of N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide?
N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109377986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).