2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride

C12H25Cl2N3 — CID 175105676

IUPAC2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N1CCCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C12H23N3.2ClH/c1-12(2,15-9-5-6-10-15)11(13)14-7-3-4-8-14;;/h13H,3-10H2,1-2H3;2*1H/b13-11-;;
InChIKeyOLMMVZLIAZBCFP-UYILYQNDSA-N
MW282.26 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride

2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride (PubChem CID 175105676) has the molecular formula C12H25Cl2N3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride
PubChem CID175105676
Molecular FormulaC12H25Cl2N3
Molecular Weight282.26 g/mol
Exact Mass281.14
IUPAC Name2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N1CCCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C12H23N3.2ClH/c1-12(2,15-9-5-6-10-15)11(13)14-7-3-4-8-14;;/h13H,3-10H2,1-2H3;2*1H/b13-11-;;
InChIKeyOLMMVZLIAZBCFP-UYILYQNDSA-N
XLogP2.78
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.78
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-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride 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-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride?
The IUPAC name of 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride (CID 175105676) is 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride.
What is the SMILES notation for 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride?
The canonical SMILES for 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride is Cl.Cl.[H]/N=C(\N1CCCC1)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride?
The InChIKey is OLMMVZLIAZBCFP-UYILYQNDSA-N. The full InChI is InChI=1S/C12H23N3.2ClH/c1-12(2,15-9-5-6-10-15)11(13)14-7-3-4-8-14;;/h13H,3-10H2,1-2H3;2*1H/b13-11-;;.
What are the key properties of 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride?
2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride has a molecular weight of 282.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dipyrrolidin-1-ylpropan-1-imine;dihydrochloride is sourced from PubChem (CID 175105676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).