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

C12H25N3O2 — CID 111757981

IUPACN'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)10(16-4)9-14-11(13)15-5-7-17-8-6-15/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyYGDDWAIOCYWVRI-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.69
Rot. Bonds3

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

N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide (PubChem CID 111757981) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
PubChem CID111757981
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)10(16-4)9-14-11(13)15-5-7-17-8-6-15/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyYGDDWAIOCYWVRI-UHFFFAOYSA-N
XLogP0.69
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.69
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)piperidine-1-carboximidamide
CID 111757989
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111757959
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
CID 111752152
N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide
CID 111063749
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111757958
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111709662
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide (CID 111757981) is N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide is COC(C/N=C(\N)N1CCOCC1)C(C)(C)C.
What is the InChIKey of N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide?
The InChIKey is YGDDWAIOCYWVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)10(16-4)9-14-11(13)15-5-7-17-8-6-15/h10H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide?
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 0.69, 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)morpholine-4-carboximidamide is sourced from PubChem (CID 111757981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).