N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C18H27IN4 — CID 111117710

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12.I
InChIInChI=1S/C18H26N4.HI/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22;/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20);1H
InChIKeyJPOLIOXZTZBLKM-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111117710) has the molecular formula C18H27IN4 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111117710
Molecular FormulaC18H27IN4
Molecular Weight426.35 g/mol
Exact Mass426.13
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12.I
InChIInChI=1S/C18H26N4.HI/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22;/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20);1H
InChIKeyJPOLIOXZTZBLKM-UHFFFAOYSA-N
XLogP3.56
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449171
N'-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444138
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834479
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837140
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109396733
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111835793
N'-methyl-N-(2-naphthalen-1-ylethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367076
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56787167

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 111117710) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is CCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12.I.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JPOLIOXZTZBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.HI/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22;/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 426.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111117710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).