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

C13H23N3O2 — CID 120662194

IUPAC2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC3OCCCC23)CCO1
InChIInChI=1S/C13H23N3O2/c1-9-8-16(4-6-17-9)13(14)15-11-7-12-10(11)3-2-5-18-12/h9-12H,2-8H2,1H3,(H2,14,15)
InChIKeyCNKGMMDFFZTWOI-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.59
Rot. Bonds1

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

2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide (PubChem CID 120662194) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
PubChem CID120662194
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC3OCCCC23)CCO1
InChIInChI=1S/C13H23N3O2/c1-9-8-16(4-6-17-9)13(14)15-11-7-12-10(11)3-2-5-18-12/h9-12H,2-8H2,1H3,(H2,14,15)
InChIKeyCNKGMMDFFZTWOI-UHFFFAOYSA-N
XLogP0.59
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.59
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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Related Compounds

2-methyl-N'-(2-methylcyclobutyl)morpholine-4-carboximidamide;hydroiodide
CID 120974006
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661883
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661395
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120663236
N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
CID 120671753
2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 122097698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide (CID 120662194) is 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide is CC1CN(/C(N)=N/C2CC3OCCCC23)CCO1.
What is the InChIKey of 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
The InChIKey is CNKGMMDFFZTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-8-16(4-6-17-9)13(14)15-11-7-12-10(11)3-2-5-18-12/h9-12H,2-8H2,1H3,(H2,14,15).
What are the key properties of 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide?
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide has a molecular weight of 253.35 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide is sourced from PubChem (CID 120662194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).