N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine

C22H25N3 — CID 13089165

IUPACN-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine
SMILESCN1CCC/C1=N\CCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H25N3/c1-24-15-7-12-22(24)23-14-13-19-17-25(16-18-8-3-2-4-9-18)21-11-6-5-10-20(19)21/h2-6,8-11,17H,7,12-16H2,1H3/b23-22+
InChIKeyQEWANMUPUZQAHG-GHVJWSGMSA-N
MW331.46 g/mol
LogP4.36
Rot. Bonds5

About N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine

N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine (PubChem CID 13089165) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine
PubChem CID13089165
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine
SMILESCN1CCC/C1=N\CCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H25N3/c1-24-15-7-12-22(24)23-14-13-19-17-25(16-18-8-3-2-4-9-18)21-11-6-5-10-20(19)21/h2-6,8-11,17H,7,12-16H2,1H3/b23-22+
InChIKeyQEWANMUPUZQAHG-GHVJWSGMSA-N
XLogP4.36
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzylindol-3-yl)ethanol
CID 13134935
1-benzyl-3-but-3-enylindole
CID 174396068
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CID 13010553
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
CID 101017415
1-benzyl-3-methylindole;ethane
CID 145343697
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 170864386

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine?
The IUPAC name of N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine (CID 13089165) is N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine.
What is the SMILES notation for N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine?
The canonical SMILES for N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine is CN1CCC/C1=N\CCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine?
The InChIKey is QEWANMUPUZQAHG-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H25N3/c1-24-15-7-12-22(24)23-14-13-19-17-25(16-18-8-3-2-4-9-18)21-11-6-5-10-20(19)21/h2-6,8-11,17H,7,12-16H2,1H3/b23-22+.
What are the key properties of N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine?
N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine has a molecular weight of 331.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylindol-3-yl)ethyl]-1-methylpyrrolidin-2-imine is sourced from PubChem (CID 13089165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).