ethane;7-methyl-1,2,3,4-tetrahydroquinoline

C12H19N — CID 142224426

IUPACethane;7-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC.Cc1ccc2c(c1)NCCC2
InChIInChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h4-5,7,11H,2-3,6H2,1H3;1-2H3
InChIKeyOGVYPQRWUHRBGZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.38
Rot. Bonds

About ethane;7-methyl-1,2,3,4-tetrahydroquinoline

ethane;7-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142224426) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;7-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;7-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID142224426
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;7-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC.Cc1ccc2c(c1)NCCC2
InChIInChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h4-5,7,11H,2-3,6H2,1H3;1-2H3
InChIKeyOGVYPQRWUHRBGZ-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
3-methylaniline;1,2,3,4-tetrahydroquinolin-7-amine
CID 174805815
ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole
CID 145027506
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 45098257
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
3,3,8-trimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84719436
7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 130242087

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of ethane;7-methyl-1,2,3,4-tetrahydroquinoline (CID 142224426) is ethane;7-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for ethane;7-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for ethane;7-methyl-1,2,3,4-tetrahydroquinoline is CC.Cc1ccc2c(c1)NCCC2.
What is the InChIKey of ethane;7-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is OGVYPQRWUHRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h4-5,7,11H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1,2,3,4-tetrahydroquinoline?
ethane;7-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 177.29 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142224426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).