2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide

C12H25N3O — CID 102744289

IUPAC2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\N)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-6-7-14-10(13)15-8-11(2,3)16-12(4,5)9-15/h6-9H2,1-5H3,(H2,13,14)
InChIKeyLKPUWGIKNXXNII-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds2

About 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide

2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide (PubChem CID 102744289) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
PubChem CID102744289
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\N)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-6-7-14-10(13)15-8-11(2,3)16-12(4,5)9-15/h6-9H2,1-5H3,(H2,13,14)
InChIKeyLKPUWGIKNXXNII-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
ethane;N'-methylmorpholine-4-carboximidamide
CID 142863710
2,2-Dimethylmorpholine-4-carboximidamide
CID 43592933
2,2,6-Trimethylmorpholine-4-carboximidamide
CID 61955072
N',2-dimethylmorpholine-4-carboximidamide
CID 62358779
N',2,2,6-tetramethylmorpholine-4-carboximidamide
CID 62358789
N',3,3-trimethylmorpholine-4-carboximidamide
CID 62359693
N',2,5-trimethylmorpholine-4-carboximidamide
CID 62360427
2-ethyl-N'-methylmorpholine-4-carboximidamide
CID 62360606
N'-tert-butylmorpholine-4-carboximidamide
CID 62360668
N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62360669
N'-ethyl-2,6-dimethylmorpholine-4-carboximidamide
CID 62360847

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The IUPAC name of 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide (CID 102744289) is 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide is CCC/N=C(\N)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
The InChIKey is LKPUWGIKNXXNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-7-14-10(13)15-8-11(2,3)16-12(4,5)9-15/h6-9H2,1-5H3,(H2,13,14).
What are the key properties of 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide?
2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N'-propylmorpholine-4-carboximidamide is sourced from PubChem (CID 102744289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).