2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine

C12H24N2O — CID 79177542

IUPAC2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-5-6-13-12(10(2)3)11-9-14(4)7-8-15-11/h11-13H,2,5-9H2,1,3-4H3
InChIKeyPMZRZDGFDXNPIA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine

2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 79177542) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine
PubChem CID79177542
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-5-6-13-12(10(2)3)11-9-14(4)7-8-15-11/h11-13H,2,5-9H2,1,3-4H3
InChIKeyPMZRZDGFDXNPIA-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine 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 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine (CID 79177542) is 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CN(C)CCO1.
What is the InChIKey of 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is PMZRZDGFDXNPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-13-12(10(2)3)11-9-14(4)7-8-15-11/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine?
2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79177542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).