4-(3-ethylmorpholin-4-yl)butanimidamide

C10H21N3O — CID 43613277

IUPAC4-(3-ethylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1CC
InChIInChI=1S/C10H21N3O/c1-2-9-8-14-7-6-13(9)5-3-4-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyXGEWLYATIYFVRH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds5

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

4-(3-ethylmorpholin-4-yl)butanimidamide (PubChem CID 43613277) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)butanimidamide.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)butanimidamide
PubChem CID43613277
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(3-ethylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1CC
InChIInChI=1S/C10H21N3O/c1-2-9-8-14-7-6-13(9)5-3-4-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyXGEWLYATIYFVRH-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)butanimidamide?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)butanimidamide (CID 43613277) is 4-(3-ethylmorpholin-4-yl)butanimidamide.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)butanimidamide?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)butanimidamide is [H]/N=C(\N)CCCN1CCOCC1CC.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)butanimidamide?
The InChIKey is XGEWLYATIYFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-9-8-14-7-6-13(9)5-3-4-10(11)12/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 4-(3-ethylmorpholin-4-yl)butanimidamide?
4-(3-ethylmorpholin-4-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)butanimidamide is sourced from PubChem (CID 43613277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).