N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C19H29IN4 — CID 111153494

IUPACN-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CC(C)CC(C)C1.I
InChIInChI=1S/C19H28N4.HI/c1-14-10-15(2)13-23(12-14)19(20-3)21-9-8-16-11-22-18-7-5-4-6-17(16)18;/h4-7,11,14-15,22H,8-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeyTWXKAERBZKCDGI-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153494) has the molecular formula C19H29IN4 and a molecular weight of 440.37 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153494
Molecular FormulaC19H29IN4
Molecular Weight440.37 g/mol
Exact Mass440.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CC(C)CC(C)C1.I
InChIInChI=1S/C19H28N4.HI/c1-14-10-15(2)13-23(12-14)19(20-3)21-9-8-16-11-22-18-7-5-4-6-17(16)18;/h4-7,11,14-15,22H,8-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeyTWXKAERBZKCDGI-UHFFFAOYSA-N
XLogP3.88
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.88
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

3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724485
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205635
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290264
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110996255
tert-butyl N-[1-[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728903
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427030
N-[3-(1H-indol-3-yl)propyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111984736
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110997234
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111985345

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153494) is N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1c[nH]c2ccccc12)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is TWXKAERBZKCDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.HI/c1-14-10-15(2)13-23(12-14)19(20-3)21-9-8-16-11-22-18-7-5-4-6-17(16)18;/h4-7,11,14-15,22H,8-10,12-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).