N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide

C8H18N4O — CID 104882023

IUPACN-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(=N/C)NN
InChIInChI=1S/C8H18N4O/c1-3-7-6-13-5-4-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyJXOUQZICXPPOGK-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.45
Rot. Bonds1

About N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide

N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide (PubChem CID 104882023) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide
PubChem CID104882023
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(=N/C)NN
InChIInChI=1S/C8H18N4O/c1-3-7-6-13-5-4-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyJXOUQZICXPPOGK-UHFFFAOYSA-N
XLogP-0.45
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.45
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-N'-methylmorpholine-4-carboximidamide
CID 22977260
N'-methyl-N-(methylamino)morpholine-4-carboximidamide
CID 169236519
N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
CID 174024845
N-amino-N'-methylmorpholine-4-carboximidamide;hydrochloride
CID 55281620
3-ethyl-N'-methylmorpholine-4-carboximidamide
CID 62360996
3-ethyl-N'-propylmorpholine-4-carboximidamide
CID 62361440
3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361441
N',3-diethylmorpholine-4-carboximidamide
CID 62364761
N'-amino-3-ethylmorpholine-4-carboximidamide
CID 64868562
1-Amino-2-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 64873042
N'-amino-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 77053945
N'-amino-3-ethylmorpholine-4-carboximidamide
CID 77053979

Frequently Asked Questions

What is the IUPAC name of N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide (CID 104882023) is N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide is CCC1COCCN1/C(=N/C)NN.
What is the InChIKey of N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide?
The InChIKey is JXOUQZICXPPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-3-7-6-13-5-4-12(7)8(10-2)11-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide?
N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-ethyl-N'-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 104882023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).