ethane;3-methyl-5,6,7,8-tetrahydroquinoline

C12H19N — CID 143839109

IUPACethane;3-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC.Cc1cnc2c(c1)CCCC2
InChIInChI=1S/C10H13N.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeySRJGLTMLOGNOCF-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.30
Rot. Bonds

About ethane;3-methyl-5,6,7,8-tetrahydroquinoline

ethane;3-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 143839109) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;3-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;3-methyl-5,6,7,8-tetrahydroquinoline
PubChem CID143839109
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;3-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC.Cc1cnc2c(c1)CCCC2
InChIInChI=1S/C10H13N.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeySRJGLTMLOGNOCF-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydroquinoline (CID 143839109) is ethane;3-methyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for ethane;3-methyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for ethane;3-methyl-5,6,7,8-tetrahydroquinoline is CC.Cc1cnc2c(c1)CCCC2.
What is the InChIKey of ethane;3-methyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is SRJGLTMLOGNOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6,7,8-tetrahydroquinoline?
ethane;3-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 177.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143839109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).