3-(3-ethylmorpholin-4-yl)propanimidamide

C9H19N3O — CID 43613276

IUPAC3-(3-ethylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOCC1CC
InChIInChI=1S/C9H19N3O/c1-2-8-7-13-6-5-12(8)4-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyMKGXLDFAWVHYCD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 3-(3-ethylmorpholin-4-yl)propanimidamide

3-(3-ethylmorpholin-4-yl)propanimidamide (PubChem CID 43613276) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)propanimidamide
PubChem CID43613276
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(3-ethylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOCC1CC
InChIInChI=1S/C9H19N3O/c1-2-8-7-13-6-5-12(8)4-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyMKGXLDFAWVHYCD-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
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'}

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Related Compounds

3-(2,6-Dimethylmorpholin-4-yl)propanimidamide dihydrochloride
CID 45792411
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3,3,3-Trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370582
2-[(3-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370593
2-[(5-Ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 113808130
4-Morpholinobutanamidine
CID 24704187
3-(Morpholin-4-yl)propanimidamide
CID 24711156
N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
CID 59020720
2-Morpholin-4-ylpropanimidamide
CID 61690886
N'-(3-morpholin-4-ylpropyl)ethanimidamide
CID 63173019
N'-(3-morpholin-4-ylpropyl)butanimidamide
CID 63175513
2-Morpholin-3-ylethanimidamide
CID 151261088

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)propanimidamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)propanimidamide (CID 43613276) is 3-(3-ethylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)propanimidamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)propanimidamide is [H]/N=C(\N)CCN1CCOCC1CC.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)propanimidamide?
The InChIKey is MKGXLDFAWVHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-8-7-13-6-5-12(8)4-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-(3-ethylmorpholin-4-yl)propanimidamide?
3-(3-ethylmorpholin-4-yl)propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43613276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).