N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide

C20H30N4O — CID 111735707

IUPACN-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)N1CCC(COC)C1
InChIInChI=1S/C20H30N4O/c1-3-21-20(24-13-9-17(15-24)16-25-2)22-11-6-12-23-14-10-18-7-4-5-8-19(18)23/h4-5,7-8,10,14,17H,3,6,9,11-13,15-16H2,1-2H3,(H,21,22)
InChIKeyCMLSCUFYHWXQFQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111735707) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111735707
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)N1CCC(COC)C1
InChIInChI=1S/C20H30N4O/c1-3-21-20(24-13-9-17(15-24)16-25-2)22-11-6-12-23-14-10-18-7-4-5-8-19(18)23/h4-5,7-8,10,14,17H,3,6,9,11-13,15-16H2,1-2H3,(H,21,22)
InChIKeyCMLSCUFYHWXQFQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958122
N-ethyl-3-(methoxymethyl)-N'-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735262
N-ethyl-3-(methoxymethyl)-N'-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111737547
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
CID 22989675
N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 111735387
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735216
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527549
N-ethyl-3-(methoxymethyl)-N'-(2-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735704
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735228
N'-[3-(dimethylamino)propyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526979
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide (CID 111735707) is N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCCn1ccc2ccccc21)N1CCC(COC)C1.
What is the InChIKey of N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is CMLSCUFYHWXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-21-20(24-13-9-17(15-24)16-25-2)22-11-6-12-23-14-10-18-7-4-5-8-19(18)23/h4-5,7-8,10,14,17H,3,6,9,11-13,15-16H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 342.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111735707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).