4-methyl-3,4,5,6,7,8-hexahydroquinoline

C10H15N — CID 89313200

IUPAC4-methyl-3,4,5,6,7,8-hexahydroquinoline
SMILESCC1CC=NC2=C1CCCC2
InChIInChI=1S/C10H15N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h7-8H,2-6H2,1H3
InChIKeyVSQNGRZCHCWLGY-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.93
Rot. Bonds

About 4-methyl-3,4,5,6,7,8-hexahydroquinoline

4-methyl-3,4,5,6,7,8-hexahydroquinoline (PubChem CID 89313200) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-methyl-3,4,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name4-methyl-3,4,5,6,7,8-hexahydroquinoline
PubChem CID89313200
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-methyl-3,4,5,6,7,8-hexahydroquinoline
SMILESCC1CC=NC2=C1CCCC2
InChIInChI=1S/C10H15N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h7-8H,2-6H2,1H3
InChIKeyVSQNGRZCHCWLGY-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5,6,7,8-hexahydroquinoline?
The IUPAC name of 4-methyl-3,4,5,6,7,8-hexahydroquinoline (CID 89313200) is 4-methyl-3,4,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 4-methyl-3,4,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 4-methyl-3,4,5,6,7,8-hexahydroquinoline is CC1CC=NC2=C1CCCC2.
What is the InChIKey of 4-methyl-3,4,5,6,7,8-hexahydroquinoline?
The InChIKey is VSQNGRZCHCWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h7-8H,2-6H2,1H3.
What are the key properties of 4-methyl-3,4,5,6,7,8-hexahydroquinoline?
4-methyl-3,4,5,6,7,8-hexahydroquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 89313200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).