2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine

C11H18N2 — CID 123793267

IUPAC2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine
SMILESCC1C=C2C(=CC1)CCN2CCN
InChIInChI=1S/C11H18N2/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h3,8-9H,2,4-7,12H2,1H3
InChIKeyROYXVAPTVIPDKJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.50
Rot. Bonds2

About 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine

2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine (PubChem CID 123793267) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine
PubChem CID123793267
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine
SMILESCC1C=C2C(=CC1)CCN2CCN
InChIInChI=1S/C11H18N2/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h3,8-9H,2,4-7,12H2,1H3
InChIKeyROYXVAPTVIPDKJ-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-N-[(4Z,6E)-7-methyl-3-methylidene-6-[(3S)-3-methylpyrrolidin-1-yl]nona-1,4,6-trien-2-yl]propane-1,2-diamine
CID 173873359
N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine
CID 22902208
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088
1-Tert-butyl-2,4-dihydroindol-5-amine
CID 67269974
2-Methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 67976422
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-1H-indole
CID 68059187
2-Methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 68642018
5,6-Dimethyl-5-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine
CID 69716780
6-methyl-2,3,5,6-tetrahydro-1H-indole
CID 70327442
N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine
CID 70807108
1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70920211

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine?
The IUPAC name of 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine (CID 123793267) is 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine is CC1C=C2C(=CC1)CCN2CCN.
What is the InChIKey of 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine?
The InChIKey is ROYXVAPTVIPDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h3,8-9H,2,4-7,12H2,1H3.
What are the key properties of 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine?
2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,3,5,6-tetrahydroindol-1-yl)ethanamine is sourced from PubChem (CID 123793267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).