2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine

C18H28N2 — CID 106663467

IUPAC2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCC1CC(C)(C)CC1N1CC(CCN)c2ccccc21
InChIInChI=1S/C18H28N2/c1-13-10-18(2,3)11-17(13)20-12-14(8-9-19)15-6-4-5-7-16(15)20/h4-7,13-14,17H,8-12,19H2,1-3H3
InChIKeyHFIJYYYUDKUFQF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.76
Rot. Bonds3

About 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 106663467) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID106663467
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCC1CC(C)(C)CC1N1CC(CCN)c2ccccc21
InChIInChI=1S/C18H28N2/c1-13-10-18(2,3)11-17(13)20-12-14(8-9-19)15-6-4-5-7-16(15)20/h4-7,13-14,17H,8-12,19H2,1-3H3
InChIKeyHFIJYYYUDKUFQF-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine (CID 106663467) is 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine is CC1CC(C)(C)CC1N1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is HFIJYYYUDKUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-10-18(2,3)11-17(13)20-12-14(8-9-19)15-6-4-5-7-16(15)20/h4-7,13-14,17H,8-12,19H2,1-3H3.
What are the key properties of 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,4-trimethylcyclopentyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 106663467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).