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

C12H24N2 — CID 155187824

IUPAC1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C(C)C)CC1(C)C
InChIInChI=1S/C12H24N2/c1-6-11(13)14-8-10(9(2)3)7-12(14,4)5/h9-10,13H,6-8H2,1-5H3/b13-11+
InChIKeyALIXOWIRDFEQRB-ACCUITESSA-N
MW196.34 g/mol
LogP3.13
Rot. Bonds2

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

1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine (PubChem CID 155187824) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine
PubChem CID155187824
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C(C)C)CC1(C)C
InChIInChI=1S/C12H24N2/c1-6-11(13)14-8-10(9(2)3)7-12(14,4)5/h9-10,13H,6-8H2,1-5H3/b13-11+
InChIKeyALIXOWIRDFEQRB-ACCUITESSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethyl-4-propan-2-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 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine?
The IUPAC name of 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine (CID 155187824) is 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine is [H]/N=C(\CC)N1CC(C(C)C)CC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine?
The InChIKey is ALIXOWIRDFEQRB-ACCUITESSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-11(13)14-8-10(9(2)3)7-12(14,4)5/h9-10,13H,6-8H2,1-5H3/b13-11+.
What are the key properties of 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine?
1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine has a molecular weight of 196.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)propan-1-imine is sourced from PubChem (CID 155187824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).