N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide

C11H24N4O — CID 104885019

IUPACN-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H24N4O/c1-5-6-13-10(14-12)15-7-9(2)16-11(3,4)8-15/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyRCPIBPBJPQLFGL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.71
Rot. Bonds2

About N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide

N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide (PubChem CID 104885019) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
PubChem CID104885019
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H24N4O/c1-5-6-13-10(14-12)15-7-9(2)16-11(3,4)8-15/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyRCPIBPBJPQLFGL-UHFFFAOYSA-N
XLogP0.71
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927
N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 66125060

Frequently Asked Questions

What is the IUPAC name of N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide (CID 104885019) is N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide is CCC/N=C(\NN)N1CC(C)OC(C)(C)C1.
What is the InChIKey of N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The InChIKey is RCPIBPBJPQLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-5-6-13-10(14-12)15-7-9(2)16-11(3,4)8-15/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide is sourced from PubChem (CID 104885019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).