ethane;8-methyl-3,4,4a,5-tetrahydroquinoline

C14H25N — CID 91349973

IUPACethane;8-methyl-3,4,4a,5-tetrahydroquinoline
SMILESCC.CC.CC1=C2N=CCCC2CC=C1
InChIInChI=1S/C10H13N.2C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-2/h2,4,7,9H,3,5-6H2,1H3;2*1-2H3
InChIKeyJADJMEDWKQIGDQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds

About ethane;8-methyl-3,4,4a,5-tetrahydroquinoline

ethane;8-methyl-3,4,4a,5-tetrahydroquinoline (PubChem CID 91349973) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;8-methyl-3,4,4a,5-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;8-methyl-3,4,4a,5-tetrahydroquinoline
PubChem CID91349973
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;8-methyl-3,4,4a,5-tetrahydroquinoline
SMILESCC.CC.CC1=C2N=CCCC2CC=C1
InChIInChI=1S/C10H13N.2C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-2/h2,4,7,9H,3,5-6H2,1H3;2*1-2H3
InChIKeyJADJMEDWKQIGDQ-UHFFFAOYSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-4a,5-dihydroquinoline
CID 123376596
3-methyl-4,5-dihydro-3H-pyridine-2-thione
CID 57250927
5-methyl-1,2,3,8,9,9a-hexahydro-3-benzazepin-4-one
CID 54284576
1,7-difluoro-2-methylcyclohepta-1,3-diene
CID 126490285
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline
CID 90774694
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
2,2-difluoro-7-methyl-3a,4-dihydro-1,3-benzodioxole
CID 163443458
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
CID 155717721
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline?
The IUPAC name of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline (CID 91349973) is ethane;8-methyl-3,4,4a,5-tetrahydroquinoline.
What is the SMILES notation for ethane;8-methyl-3,4,4a,5-tetrahydroquinoline?
The canonical SMILES for ethane;8-methyl-3,4,4a,5-tetrahydroquinoline is CC.CC.CC1=C2N=CCCC2CC=C1.
What is the InChIKey of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline?
The InChIKey is JADJMEDWKQIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;2*1-2/h2,4,7,9H,3,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;8-methyl-3,4,4a,5-tetrahydroquinoline?
ethane;8-methyl-3,4,4a,5-tetrahydroquinoline has a molecular weight of 207.36 g/mol, XLogP of 4.75, 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 is sourced from PubChem (CID 91349973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).