N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

C19H26IN3S — CID 111723334

IUPACN-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C19H25N3S.HI/c1-2-20-19(21-12-10-18-9-6-14-23-18)22-13-11-17(15-22)16-7-4-3-5-8-16;/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21);1H
InChIKeyBRUAUSPXMTVLHH-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.36
Rot. Bonds5

About N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111723334) has the molecular formula C19H26IN3S and a molecular weight of 455.41 g/mol. Its IUPAC name is N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111723334
Molecular FormulaC19H26IN3S
Molecular Weight455.41 g/mol
Exact Mass455.09
IUPAC NameN-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C19H25N3S.HI/c1-2-20-19(21-12-10-18-9-6-14-23-18)22-13-11-17(15-22)16-7-4-3-5-8-16;/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21);1H
InChIKeyBRUAUSPXMTVLHH-UHFFFAOYSA-N
XLogP4.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.36
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946
methyl 5-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 111723376
N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723572
N-ethyl-3-phenyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723550
tert-butyl N-[1-[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729679
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185675
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723326
3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111722793
N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 111723766
N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111206217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111723334) is N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccs1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is BRUAUSPXMTVLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S.HI/c1-2-20-19(21-12-10-18-9-6-14-23-18)22-13-11-17(15-22)16-7-4-3-5-8-16;/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21);1H.
What are the key properties of N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 455.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111723334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).