3-(1H-indol-3-yl)propylazanium chloride

C11H15ClN2 — CID 28988

IUPAC3-(1H-indol-3-yl)propylazanium chloride
SMILES[Cl-].[NH3+]CCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2.ClH/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7,12H2;1H
InChIKeyLQRGNIYFSBEZPL-UHFFFAOYSA-N
MW210.71 g/mol
LogP-1.65
Rot. Bonds3

About 3-(1H-indol-3-yl)propylazanium chloride

3-(1H-indol-3-yl)propylazanium chloride (PubChem CID 28988) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propylazanium chloride.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propylazanium chloride
PubChem CID28988
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-(1H-indol-3-yl)propylazanium chloride
SMILES[Cl-].[NH3+]CCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2.ClH/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7,12H2;1H
InChIKeyLQRGNIYFSBEZPL-UHFFFAOYSA-N
XLogP-1.65
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-heptyl-1H-indole
CID 15360907
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-but-3-enyl-1H-indole
CID 57142098
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)propyl dihydrogen phosphate
CID 3713
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propylazanium chloride?
The IUPAC name of 3-(1H-indol-3-yl)propylazanium chloride (CID 28988) is 3-(1H-indol-3-yl)propylazanium chloride.
What is the SMILES notation for 3-(1H-indol-3-yl)propylazanium chloride?
The canonical SMILES for 3-(1H-indol-3-yl)propylazanium chloride is [Cl-].[NH3+]CCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propylazanium chloride?
The InChIKey is LQRGNIYFSBEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7,12H2;1H.
What are the key properties of 3-(1H-indol-3-yl)propylazanium chloride?
3-(1H-indol-3-yl)propylazanium chloride has a molecular weight of 210.71 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propylazanium chloride is sourced from PubChem (CID 28988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).