2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine

C13H25N3O — CID 55158439

IUPAC2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(/N1CCC(N2CCOCC2)C1)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(14)16-5-4-11(10-16)15-6-8-17-9-7-15/h11,14H,4-10H2,1-3H3/b14-12+
InChIKeySZUPLSMAWCODHJ-WYMLVPIESA-N
MW239.36 g/mol
LogP1.42
Rot. Bonds1

About 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine

2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine (PubChem CID 55158439) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine
PubChem CID55158439
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(/N1CCC(N2CCOCC2)C1)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)12(14)16-5-4-11(10-16)15-6-8-17-9-7-15/h11,14H,4-10H2,1-3H3/b14-12+
InChIKeySZUPLSMAWCODHJ-WYMLVPIESA-N
XLogP1.42
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine 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 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine (CID 55158439) is 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine is [H]/N=C(/N1CCC(N2CCOCC2)C1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine?
The InChIKey is SZUPLSMAWCODHJ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)12(14)16-5-4-11(10-16)15-6-8-17-9-7-15/h11,14H,4-10H2,1-3H3/b14-12+.
What are the key properties of 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine?
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine has a molecular weight of 239.36 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-imine is sourced from PubChem (CID 55158439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).