3-methyl-2,3,5,8-tetrahydroquinoline

C10H13N — CID 57323267

IUPAC3-methyl-2,3,5,8-tetrahydroquinoline
SMILESCC1C=C2CC=CCC2=NC1
InChIInChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyIZFPBRCOHOVVTG-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.35
Rot. Bonds

About 3-methyl-2,3,5,8-tetrahydroquinoline

3-methyl-2,3,5,8-tetrahydroquinoline (PubChem CID 57323267) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-methyl-2,3,5,8-tetrahydroquinoline.

Molecular Properties

Compound Name3-methyl-2,3,5,8-tetrahydroquinoline
PubChem CID57323267
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-methyl-2,3,5,8-tetrahydroquinoline
SMILESCC1C=C2CC=CCC2=NC1
InChIInChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyIZFPBRCOHOVVTG-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3h-Quinoline
CID 22027752
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
4,6,7,8-Tetrahydroquinoline
CID 54001033
4-Methyl-2,3-dihydroquinoline
CID 68274032
4,6-Dihydroquinoline
CID 129722681
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline
CID 170295856
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
CID 174141813
N-allyl(2-cyclohexylidenecyclohexylidene)amine
CID 129812418
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
2,3,4,6,7,8-Hexahydroquinoline
CID 10986285
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,5,8-tetrahydroquinoline?
The IUPAC name of 3-methyl-2,3,5,8-tetrahydroquinoline (CID 57323267) is 3-methyl-2,3,5,8-tetrahydroquinoline.
What is the SMILES notation for 3-methyl-2,3,5,8-tetrahydroquinoline?
The canonical SMILES for 3-methyl-2,3,5,8-tetrahydroquinoline is CC1C=C2CC=CCC2=NC1.
What is the InChIKey of 3-methyl-2,3,5,8-tetrahydroquinoline?
The InChIKey is IZFPBRCOHOVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 3-methyl-2,3,5,8-tetrahydroquinoline?
3-methyl-2,3,5,8-tetrahydroquinoline has a molecular weight of 147.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,5,8-tetrahydroquinoline is sourced from PubChem (CID 57323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).