N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide

C11H23N3O2 — CID 120661722

IUPACN'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
SMILESCOC(C)(C)C/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C11H23N3O2/c1-9-7-14(5-6-16-9)10(12)13-8-11(2,3)15-4/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyKQDGDGANKXRSQS-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.45
Rot. Bonds3

About N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide

N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 120661722) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
PubChem CID120661722
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
SMILESCOC(C)(C)C/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C11H23N3O2/c1-9-7-14(5-6-16-9)10(12)13-8-11(2,3)15-4/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyKQDGDGANKXRSQS-UHFFFAOYSA-N
XLogP0.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.45
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'}

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Related Compounds

N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120973008
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661776
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide (CID 120661722) is N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide is COC(C)(C)C/N=C(\N)N1CCOC(C)C1.
What is the InChIKey of N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is KQDGDGANKXRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9-7-14(5-6-16-9)10(12)13-8-11(2,3)15-4/h9H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide?
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 229.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).