ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)

C22H49NY4 — CID 162283252

IUPACethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC1=C2N=CCCC2CC=C1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H13N.6C2H6.4Y/c1-8-4-2-5-9-6-3-7-11-10(8)9;6*1-2;;;;/h2,4,7,9H,3,5-6H2,1H3;6*1-2H3;;;;
InChIKeyHRBIMTGOCQCLTL-UHFFFAOYSA-N
MW683.26 g/mol
LogP8.85
Rot. Bonds

About ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)

ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) (PubChem CID 162283252) has the molecular formula C22H49NY4 and a molecular weight of 683.26 g/mol. Its IUPAC name is ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium).

Molecular Properties

Compound Nameethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)
PubChem CID162283252
Molecular FormulaC22H49NY4
Molecular Weight683.26 g/mol
Exact Mass683.01
IUPAC Nameethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC1=C2N=CCCC2CC=C1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H13N.6C2H6.4Y/c1-8-4-2-5-9-6-3-7-11-10(8)9;6*1-2;;;;/h2,4,7,9H,3,5-6H2,1H3;6*1-2H3;;;;
InChIKeyHRBIMTGOCQCLTL-UHFFFAOYSA-N
XLogP8.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.26
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1,4-dimethyl-4,4a-dihydroisoquinoline
CID 68330512
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
3,4,8,8a-Tetrahydroisoquinoline
CID 91039570
8-Ethyl-2-(2-methylcyclopropyl)-3-azabicyclo[4.4.1]undeca-1,3,7,9-tetraene
CID 91319886
Ethane;8-methyl-3,4,4a,5-tetrahydroquinoline
CID 91349973
1,4,8,8a-Tetrahydroisoquinoline
CID 91368297
3,4,4a,5-Tetrahydroquinoline
CID 91531603
N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
CID 91595441
4-[(4Z)-5-(2,6-dimethyl-3-propan-2-ylcyclohexen-1-yl)penta-1,2,4-trien-3-yl]-7-methyl-10-propan-2-yl-5,6,7,8,9,10-hexahydro-1-benzazocine
CID 123304110
6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
CID 123432048
1-[6-Ethyl-4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]-4,4a,6a,10a-tetrahydronaphtho[2,1-f]isoquinoline
CID 123796131
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)?
The IUPAC name of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) (CID 162283252) is ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium).
What is the SMILES notation for ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)?
The canonical SMILES for ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.CC1=C2N=CCCC2CC=C1.[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)?
The InChIKey is HRBIMTGOCQCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.6C2H6.4Y/c1-8-4-2-5-9-6-3-7-11-10(8)9;6*1-2;;;;/h2,4,7,9H,3,5-6H2,1H3;6*1-2H3;;;;.
What are the key properties of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium)?
ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) has a molecular weight of 683.26 g/mol, XLogP of 8.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3,4,4a,5-tetrahydroquinoline;tetrakis(yttrium) is sourced from PubChem (CID 162283252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).