2-methoxy-1-pyrrolidin-1-ylpropan-1-imine

C8H16N2O — CID 79605211

IUPAC2-methoxy-1-pyrrolidin-1-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OC)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-7(11-2)8(9)10-5-3-4-6-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyHZRJHTDQSXBGBC-CMDGGOBGSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds2

About 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine

2-methoxy-1-pyrrolidin-1-ylpropan-1-imine (PubChem CID 79605211) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name2-methoxy-1-pyrrolidin-1-ylpropan-1-imine
PubChem CID79605211
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-methoxy-1-pyrrolidin-1-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OC)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-7(11-2)8(9)10-5-3-4-6-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyHZRJHTDQSXBGBC-CMDGGOBGSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
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 2-methoxy-1-pyrrolidin-1-ylpropan-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-methoxy-1-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine (CID 79605211) is 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine is [H]/N=C(\C(C)OC)N1CCCC1.
What is the InChIKey of 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is HZRJHTDQSXBGBC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11-2)8(9)10-5-3-4-6-10/h7,9H,3-6H2,1-2H3/b9-8+.
What are the key properties of 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine?
2-methoxy-1-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 79605211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).