1-methyl-3,4,4a,5-tetrahydro-2H-quinoline

C10H15N — CID 69139421

IUPAC1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCN1CCCC2CC=CC=C21
InChIInChI=1S/C10H15N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,7,9H,4-6,8H2,1H3
InChIKeyPQMWKAXQYMNZOD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.17
Rot. Bonds

About 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline

1-methyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 69139421) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID69139421
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCN1CCCC2CC=CC=C21
InChIInChI=1S/C10H15N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,7,9H,4-6,8H2,1H3
InChIKeyPQMWKAXQYMNZOD-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 69139421) is 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline is CN1CCCC2CC=CC=C21.
What is the InChIKey of 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is PQMWKAXQYMNZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,7,9H,4-6,8H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
1-methyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 149.24 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 69139421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).