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

C18H23NO — CID 64522384

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H23NO/c20-18(12-19(17-8-9-17)11-13-4-5-13)16-7-6-14-2-1-3-15(14)10-16/h6-7,10,13,17H,1-5,8-9,11-12H2
InChIKeyYQNFEFMXJGLHGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.23
Rot. Bonds6

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

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 64522384) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID64522384
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H23NO/c20-18(12-19(17-8-9-17)11-13-4-5-13)16-7-6-14-2-1-3-15(14)10-16/h6-7,10,13,17H,1-5,8-9,11-12H2
InChIKeyYQNFEFMXJGLHGT-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43796359
3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
CID 62036641
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 64521389
2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
CID 129008353
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
2-[cyanomethyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]acetonitrile
CID 60680530
3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 64522384) is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is YQNFEFMXJGLHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(12-19(17-8-9-17)11-13-4-5-13)16-7-6-14-2-1-3-15(14)10-16/h6-7,10,13,17H,1-5,8-9,11-12H2.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 64522384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).