1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine

C25H34N2 — CID 123178415

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine
SMILESCCN1CCC(C(/C(C)=N/CC(C)C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H34N2/c1-5-27-17-16-24(19-27)25(21(4)26-18-20(2)3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20,24H,5,16-19H2,1-4H3/b26-21+
InChIKeyIIOJLENWRARXSV-YYADALCUSA-N
MW362.56 g/mol
LogP5.43
Rot. Bonds7

About 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine

1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine (PubChem CID 123178415) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine
PubChem CID123178415
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine
SMILESCCN1CCC(C(/C(C)=N/CC(C)C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H34N2/c1-5-27-17-16-24(19-27)25(21(4)26-18-20(2)3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20,24H,5,16-19H2,1-4H3/b26-21+
InChIKeyIIOJLENWRARXSV-YYADALCUSA-N
XLogP5.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[1-(hydroxymethyl)pyrrolidin-3-yl]-1,1-diphenylpropan-2-one
CID 90900220
1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one
CID 58847578
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
2-[(3R)-1-[9-(1-hydroxypropan-2-ylamino)nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11260152
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine (CID 123178415) is 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine is CCN1CCC(C(/C(C)=N/CC(C)C)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine?
The InChIKey is IIOJLENWRARXSV-YYADALCUSA-N. The full InChI is InChI=1S/C25H34N2/c1-5-27-17-16-24(19-27)25(21(4)26-18-20(2)3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20,24H,5,16-19H2,1-4H3/b26-21+.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine?
1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine has a molecular weight of 362.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine is sourced from PubChem (CID 123178415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).