2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide

C12H23N3O2 — CID 120661826

IUPAC2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC2(C)CCCO2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-8-15(5-7-16-10)11(13)14-9-12(2)4-3-6-17-12/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyZWYBVHLSNMQCRN-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.59
Rot. Bonds2

About 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide

2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide (PubChem CID 120661826) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
PubChem CID120661826
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC2(C)CCCO2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-8-15(5-7-16-10)11(13)14-9-12(2)4-3-6-17-12/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyZWYBVHLSNMQCRN-UHFFFAOYSA-N
XLogP0.59
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
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

N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
CID 120661307
1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide (CID 120661826) is 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/CC2(C)CCCO2)CCO1.
What is the InChIKey of 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is ZWYBVHLSNMQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-8-15(5-7-16-10)11(13)14-9-12(2)4-3-6-17-12/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide?
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120661826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).