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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Related Compounds

CID 158703686
CID 158703686
3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
CID 90345823
(E)-N-methoxy-3-methyl-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridin-7-imine
CID 90345822
3-bromo-5,6,7,8-tetrahydroquinoline
CID 53485154
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 133063202
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
(1R)-1-(5,6,7,8-tetrahydroquinolin-3-yl)ethanol
CID 124706347
ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 144996832
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine;ethane
CID 143719023
13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;ethane
CID 142002514
1,6-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;ethane
CID 172631854
6,12,13,14,15-pentamethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 20685236

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).