2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C18H25NO — CID 43796359

IUPAC2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCCN(CC(=O)c1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H25NO/c1-2-19(17-8-3-4-9-17)13-18(20)16-11-10-14-6-5-7-15(14)12-16/h10-12,17H,2-9,13H2,1H3
InChIKeyLETKQOIXBTXLPZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.62
Rot. Bonds5

About 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 43796359) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID43796359
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCCN(CC(=O)c1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H25NO/c1-2-19(17-8-3-4-9-17)13-18(20)16-11-10-14-6-5-7-15(14)12-16/h10-12,17H,2-9,13H2,1H3
InChIKeyLETKQOIXBTXLPZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 43796359) is 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is CCN(CC(=O)c1ccc2c(c1)CCC2)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is LETKQOIXBTXLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-19(17-8-3-4-9-17)13-18(20)16-11-10-14-6-5-7-15(14)12-16/h10-12,17H,2-9,13H2,1H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 43796359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).