3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide

C12H26N4O — CID 54988469

IUPAC3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCN1CCOCC1
InChIInChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14)4-5-16-6-8-17-9-7-16/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyNFJXHFAQZOMOJD-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.21
Rot. Bonds7

About 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide

3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide (PubChem CID 54988469) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide
PubChem CID54988469
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCN1CCOCC1
InChIInChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14)4-5-16-6-8-17-9-7-16/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyNFJXHFAQZOMOJD-UHFFFAOYSA-N
XLogP0.21
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide 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 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide (CID 54988469) is 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCN1CCOCC1.
What is the InChIKey of 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide?
The InChIKey is NFJXHFAQZOMOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14)4-5-16-6-8-17-9-7-16/h11H,3-10H2,1-2H3,(H3,13,14).
What are the key properties of 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide?
3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 54988469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).