5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide

C11H23N3O — CID 62361901

IUPAC5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C(C)C
InChIInChI=1S/C11H23N3O/c1-5-10-7-15-9(4)6-14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKOTCAQJGBYHQAD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds2

About 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide

5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide (PubChem CID 62361901) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
PubChem CID62361901
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/C(C)C
InChIInChI=1S/C11H23N3O/c1-5-10-7-15-9(4)6-14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKOTCAQJGBYHQAD-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The IUPAC name of 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide (CID 62361901) is 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide.
What is the SMILES notation for 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The canonical SMILES for 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/C(C)C.
What is the InChIKey of 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The InChIKey is KOTCAQJGBYHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-10-7-15-9(4)6-14(10)11(12)13-8(2)3/h8-10H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 62361901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).