2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide

C14H21IN2 — CID 170339447

IUPAC2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
SMILESCc1cccc2c(CC[NH2+]C(C)C)c[nH]c12.[I-]
InChIInChI=1S/C14H20N2.HI/c1-10(2)15-8-7-12-9-16-14-11(3)5-4-6-13(12)14;/h4-6,9-10,15-16H,7-8H2,1-3H3;1H
InChIKeyYKIZUYZJHBVCNO-UHFFFAOYSA-N
MW344.24 g/mol
LogP-1.01
Rot. Bonds4

About 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide

2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide (PubChem CID 170339447) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
PubChem CID170339447
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
SMILESCc1cccc2c(CC[NH2+]C(C)C)c[nH]c12.[I-]
InChIInChI=1S/C14H20N2.HI/c1-10(2)15-8-7-12-9-16-14-11(3)5-4-6-13(12)14;/h4-6,9-10,15-16H,7-8H2,1-3H3;1H
InChIKeyYKIZUYZJHBVCNO-UHFFFAOYSA-N
XLogP-1.01
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
CID 143759207
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59493253
tert-butyl-dimethyl-[2-(7-methyl-1H-indol-3-yl)ethoxy]silane
CID 141078795

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide (CID 170339447) is 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide is Cc1cccc2c(CC[NH2+]C(C)C)c[nH]c12.[I-].
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide?
The InChIKey is YKIZUYZJHBVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.HI/c1-10(2)15-8-7-12-9-16-14-11(3)5-4-6-13(12)14;/h4-6,9-10,15-16H,7-8H2,1-3H3;1H.
What are the key properties of 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide?
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide has a molecular weight of 344.24 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide is sourced from PubChem (CID 170339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).