1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium

C13H18NY- — CID 59041499

IUPAC1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium
SMILESCC(C)(C)C1[N-]CCc2ccccc21.[Y]
InChIInChI=1S/C13H18N.Y/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;/h4-7,12H,8-9H2,1-3H3;/q-1;
InChIKeyWIYWXNVTRYJQKH-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.70
Rot. Bonds

About 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium

1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium (PubChem CID 59041499) has the molecular formula C13H18NY- and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium.

Molecular Properties

Compound Name1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium
PubChem CID59041499
Molecular FormulaC13H18NY-
Molecular Weight277.20 g/mol
Exact Mass277.05
IUPAC Name1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium
SMILESCC(C)(C)C1[N-]CCc2ccccc21.[Y]
InChIInChI=1S/C13H18N.Y/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;/h4-7,12H,8-9H2,1-3H3;/q-1;
InChIKeyWIYWXNVTRYJQKH-UHFFFAOYSA-N
XLogP3.70
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sodium (1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-ide
CID 44632798
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CID 160572501
1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 169144923
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CID 139332278
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CID 23542126
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium
CID 155742081
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167617330
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
methyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-2-methylpropanoate
CID 132595611
(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole
CID 88895657

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium?
The IUPAC name of 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium (CID 59041499) is 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium.
What is the SMILES notation for 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium?
The canonical SMILES for 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium is CC(C)(C)C1[N-]CCc2ccccc21.[Y].
What is the InChIKey of 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium?
The InChIKey is WIYWXNVTRYJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N.Y/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;/h4-7,12H,8-9H2,1-3H3;/q-1;.
What are the key properties of 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium?
1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium has a molecular weight of 277.20 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dihydro-1H-isoquinolin-2-ide;yttrium is sourced from PubChem (CID 59041499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).