2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile

C17H22N2O — CID 65481907

IUPAC2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCCNC1CCc2c(OCC3(CC#N)CC3)cccc21
InChIInChI=1S/C17H22N2O/c1-2-19-15-7-6-14-13(15)4-3-5-16(14)20-12-17(8-9-17)10-11-18/h3-5,15,19H,2,6-10,12H2,1H3
InChIKeyLADYWIAKAZJKDB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile

2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 65481907) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID65481907
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCCNC1CCc2c(OCC3(CC#N)CC3)cccc21
InChIInChI=1S/C17H22N2O/c1-2-19-15-7-6-14-13(15)4-3-5-16(14)20-12-17(8-9-17)10-11-18/h3-5,15,19H,2,6-10,12H2,1H3
InChIKeyLADYWIAKAZJKDB-UHFFFAOYSA-N
XLogP3.36
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile (CID 65481907) is 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile is CCNC1CCc2c(OCC3(CC#N)CC3)cccc21.
What is the InChIKey of 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is LADYWIAKAZJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-19-15-7-6-14-13(15)4-3-5-16(14)20-12-17(8-9-17)10-11-18/h3-5,15,19H,2,6-10,12H2,1H3.
What are the key properties of 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile?
2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65481907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).