N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide

C12H26N4O3 — CID 104887655

IUPACN-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CC(CO)OCC1C
InChIInChI=1S/C12H26N4O3/c1-3-18-6-4-5-14-12(15-13)16-7-11(8-17)19-9-10(16)2/h10-11,17H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyZKMIKPASYZBNPG-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.69
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide

N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide (PubChem CID 104887655) has the molecular formula C12H26N4O3 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
PubChem CID104887655
Molecular FormulaC12H26N4O3
Molecular Weight274.37 g/mol
Exact Mass274.20
IUPAC NameN-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CC(CO)OCC1C
InChIInChI=1S/C12H26N4O3/c1-3-18-6-4-5-14-12(15-13)16-7-11(8-17)19-9-10(16)2/h10-11,17H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyZKMIKPASYZBNPG-UHFFFAOYSA-N
XLogP-0.69
TPSA92.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
CID 104888829
N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 81213883
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide
CID 104883871
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide (CID 104887655) is N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide is CCOCCC/N=C(\NN)N1CC(CO)OCC1C.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
The InChIKey is ZKMIKPASYZBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3/c1-3-18-6-4-5-14-12(15-13)16-7-11(8-17)19-9-10(16)2/h10-11,17H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 104887655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).