N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide

C13H27N3O2 — CID 120661582

IUPACN'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCOC(C)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-10-9-16(6-7-18-10)12(14)15-8-11(17-5)13(2,3)4/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyMGQWIUMHSFWRJG-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.08
Rot. Bonds3

About N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide

N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 120661582) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
PubChem CID120661582
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCOC(C)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-10-9-16(6-7-18-10)12(14)15-8-11(17-5)13(2,3)4/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyMGQWIUMHSFWRJG-UHFFFAOYSA-N
XLogP1.08
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.08
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-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661776
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
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide (CID 120661582) is N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide is COC(C/N=C(\N)N1CCOC(C)C1)C(C)(C)C.
What is the InChIKey of N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is MGQWIUMHSFWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10-9-16(6-7-18-10)12(14)15-8-11(17-5)13(2,3)4/h10-11H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide?
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 257.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).