N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide

C14H26IN3O2 — CID 119148238

IUPACN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21.I
InChIInChI=1S/C14H25N3O2.HI/c1-14(2)11(10-4-3-7-19-12(10)14)16-13(15)17-5-8-18-9-6-17;/h10-12H,3-9H2,1-2H3,(H2,15,16);1H
InChIKeyCBPOIXGHUXYRHH-UHFFFAOYSA-N
MW395.29 g/mol
LogP1.45
Rot. Bonds1

About N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide

N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 119148238) has the molecular formula C14H26IN3O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
PubChem CID119148238
Molecular FormulaC14H26IN3O2
Molecular Weight395.29 g/mol
Exact Mass395.11
IUPAC NameN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21.I
InChIInChI=1S/C14H25N3O2.HI/c1-14(2)11(10-4-3-7-19-12(10)14)16-13(15)17-5-8-18-9-6-17;/h10-12H,3-9H2,1-2H3,(H2,15,16);1H
InChIKeyCBPOIXGHUXYRHH-UHFFFAOYSA-N
XLogP1.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 51.45
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'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 119148239
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119148272
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111815663
N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylmorpholine-4-carboximidamide;hydroiodide
CID 109377986
N'-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylazepane-1-carboximidamide
CID 109394339
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)guanidine;hydroiodide
CID 119148266
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 54595224
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119162117
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
1-(2,5-dimethoxyphenyl)-2-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)guanidine
CID 119148269
1-(3-chloro-4-methoxyphenyl)-2-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)guanidine
CID 119148261
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide;hydrochloride
CID 67849472

Frequently Asked Questions

What is the IUPAC name of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide (CID 119148238) is N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide is CC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21.I.
What is the InChIKey of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CBPOIXGHUXYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.HI/c1-14(2)11(10-4-3-7-19-12(10)14)16-13(15)17-5-8-18-9-6-17;/h10-12H,3-9H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide?
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 395.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119148238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).