2-ethyl-N'-hydroxymorpholine-4-carboximidamide

C7H15N3O2 — CID 62481077

IUPAC2-ethyl-N'-hydroxymorpholine-4-carboximidamide
SMILESCCC1CN(/C(N)=N/O)CCO1
InChIInChI=1S/C7H15N3O2/c1-2-6-5-10(3-4-12-6)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyBEKPNGLTKRFLKL-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.20
Rot. Bonds1

About 2-ethyl-N'-hydroxymorpholine-4-carboximidamide

2-ethyl-N'-hydroxymorpholine-4-carboximidamide (PubChem CID 62481077) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxymorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxymorpholine-4-carboximidamide
PubChem CID62481077
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-ethyl-N'-hydroxymorpholine-4-carboximidamide
SMILESCCC1CN(/C(N)=N/O)CCO1
InChIInChI=1S/C7H15N3O2/c1-2-6-5-10(3-4-12-6)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyBEKPNGLTKRFLKL-UHFFFAOYSA-N
XLogP-0.20
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxymorpholine-4-carboximidamide
CID 43833696
2,6-Dimethylmorpholine-4-carboximidamide bromide
CID 45108822
N-Hydroxy-4-morpholinecarboximidamide
CID 5060498
CID 6260591
CID 6260591
2,6-Dimethylmorpholine-4-carboximidamide
CID 2806563
2-Methylmorpholine-4-carboximidamide
CID 12011845
(2R,6S)-2,6-dimethylmorpholine-4-carboximidamide
CID 57916550
N-hydroxy-N'-methylmorpholine-4-carboximidamide
CID 88881460
(2R)-2-methylmorpholine-4-carboximidamide
CID 92642789
(2S)-2-methylmorpholine-4-carboximidamide
CID 92642790
4-(2,6-Dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
CID 139772646
(2S)-2,6-dimethylmorpholine-4-carboximidamide
CID 163994058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxymorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-hydroxymorpholine-4-carboximidamide (CID 62481077) is 2-ethyl-N'-hydroxymorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxymorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-hydroxymorpholine-4-carboximidamide is CCC1CN(/C(N)=N/O)CCO1.
What is the InChIKey of 2-ethyl-N'-hydroxymorpholine-4-carboximidamide?
The InChIKey is BEKPNGLTKRFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-6-5-10(3-4-12-6)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of 2-ethyl-N'-hydroxymorpholine-4-carboximidamide?
2-ethyl-N'-hydroxymorpholine-4-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxymorpholine-4-carboximidamide is sourced from PubChem (CID 62481077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).