6-methyl-1,2,3,4,4a,8a-hexahydroquinoline

C10H15N — CID 59639387

IUPAC6-methyl-1,2,3,4,4a,8a-hexahydroquinoline
SMILESCC1=CC2CCCNC2C=C1
InChIInChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9-11H,2-3,6H2,1H3
InChIKeyMUBFBABIQOBPKN-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.87
Rot. Bonds

About 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline

6-methyl-1,2,3,4,4a,8a-hexahydroquinoline (PubChem CID 59639387) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline.

Molecular Properties

Compound Name6-methyl-1,2,3,4,4a,8a-hexahydroquinoline
PubChem CID59639387
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-methyl-1,2,3,4,4a,8a-hexahydroquinoline
SMILESCC1=CC2CCCNC2C=C1
InChIInChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9-11H,2-3,6H2,1H3
InChIKeyMUBFBABIQOBPKN-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline (CID 59639387) is 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline.
What is the SMILES notation for 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The canonical SMILES for 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline is CC1=CC2CCCNC2C=C1.
What is the InChIKey of 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The InChIKey is MUBFBABIQOBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9-11H,2-3,6H2,1H3.
What are the key properties of 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
6-methyl-1,2,3,4,4a,8a-hexahydroquinoline has a molecular weight of 149.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4,4a,8a-hexahydroquinoline is sourced from PubChem (CID 59639387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).