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

C14H25N3O2 — CID 119148239

IUPACN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
SMILESCC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21
InChIInChI=1S/C14H25N3O2/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)
InChIKeyVOGAODBKJIHEHQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.84
Rot. Bonds1

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

N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide (PubChem CID 119148239) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
PubChem CID119148239
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
SMILESCC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21
InChIInChI=1S/C14H25N3O2/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)
InChIKeyVOGAODBKJIHEHQ-UHFFFAOYSA-N
XLogP0.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.84
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The IUPAC name of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide (CID 119148239) is N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide is CC1(C)C(/N=C(\N)N2CCOCC2)C2CCCOC21.
What is the InChIKey of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The InChIKey is VOGAODBKJIHEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/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).
What are the key properties of N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 0.84, 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 is sourced from PubChem (CID 119148239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).