ethane;2-propan-2-yl-1H-isoquinoline;yttrium

C14H21NY — CID 160548203

IUPACethane;2-propan-2-yl-1H-isoquinoline;yttrium
SMILESCC.CC(C)N1C=Cc2ccccc2C1.[Y]
InChIInChI=1S/C12H15N.C2H6.Y/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-2;/h3-8,10H,9H2,1-2H3;1-2H3;
InChIKeyQXSBKBXDLKXHGR-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.90
Rot. Bonds1

About ethane;2-propan-2-yl-1H-isoquinoline;yttrium

ethane;2-propan-2-yl-1H-isoquinoline;yttrium (PubChem CID 160548203) has the molecular formula C14H21NY and a molecular weight of 292.24 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1H-isoquinoline;yttrium.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1H-isoquinoline;yttrium
PubChem CID160548203
Molecular FormulaC14H21NY
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Nameethane;2-propan-2-yl-1H-isoquinoline;yttrium
SMILESCC.CC(C)N1C=Cc2ccccc2C1.[Y]
InChIInChI=1S/C12H15N.C2H6.Y/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-2;/h3-8,10H,9H2,1-2H3;1-2H3;
InChIKeyQXSBKBXDLKXHGR-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1H-isoquinoline;yttrium?
The IUPAC name of ethane;2-propan-2-yl-1H-isoquinoline;yttrium (CID 160548203) is ethane;2-propan-2-yl-1H-isoquinoline;yttrium.
What is the SMILES notation for ethane;2-propan-2-yl-1H-isoquinoline;yttrium?
The canonical SMILES for ethane;2-propan-2-yl-1H-isoquinoline;yttrium is CC.CC(C)N1C=Cc2ccccc2C1.[Y].
What is the InChIKey of ethane;2-propan-2-yl-1H-isoquinoline;yttrium?
The InChIKey is QXSBKBXDLKXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6.Y/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-2;/h3-8,10H,9H2,1-2H3;1-2H3;.
What are the key properties of ethane;2-propan-2-yl-1H-isoquinoline;yttrium?
ethane;2-propan-2-yl-1H-isoquinoline;yttrium has a molecular weight of 292.24 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1H-isoquinoline;yttrium is sourced from PubChem (CID 160548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).