1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole

C16H24N2 — CID 54806650

IUPAC1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCN1CCCCCC1
InChIInChI=1S/C16H24N2/c1-2-6-11-17(10-5-1)13-14-18-12-9-15-7-3-4-8-16(15)18/h3-4,7-8H,1-2,5-6,9-14H2
InChIKeyHIWUVGBJBIQWHI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole

1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole (PubChem CID 54806650) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
PubChem CID54806650
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2CCN1CCCCCC1
InChIInChI=1S/C16H24N2/c1-2-6-11-17(10-5-1)13-14-18-12-9-15-7-3-4-8-16(15)18/h3-4,7-8H,1-2,5-6,9-14H2
InChIKeyHIWUVGBJBIQWHI-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-butyl-2,3-dihydroindole
CID 4167209
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole (CID 54806650) is 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole is c1ccc2c(c1)CCN2CCN1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole?
The InChIKey is HIWUVGBJBIQWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-11-17(10-5-1)13-14-18-12-9-15-7-3-4-8-16(15)18/h3-4,7-8H,1-2,5-6,9-14H2.
What are the key properties of 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole?
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole has a molecular weight of 244.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole is sourced from PubChem (CID 54806650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).