6-methyl-2,3,4,4a,5,6-hexahydroquinoline

C10H15N — CID 123235227

IUPAC6-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1C=CC2=NCCCC2C1
InChIInChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyNUSXUJRGGQOROD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.43
Rot. Bonds

About 6-methyl-2,3,4,4a,5,6-hexahydroquinoline

6-methyl-2,3,4,4a,5,6-hexahydroquinoline (PubChem CID 123235227) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,6-hexahydroquinoline.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,6-hexahydroquinoline
PubChem CID123235227
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1C=CC2=NCCCC2C1
InChIInChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyNUSXUJRGGQOROD-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
2-Ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
CID 130413096
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
2,3,4,4a-Tetrahydroquinoline
CID 20394214
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
3,3a,4,5-tetrahydro-2H-indole
CID 53636670

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The IUPAC name of 6-methyl-2,3,4,4a,5,6-hexahydroquinoline (CID 123235227) is 6-methyl-2,3,4,4a,5,6-hexahydroquinoline.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The canonical SMILES for 6-methyl-2,3,4,4a,5,6-hexahydroquinoline is CC1C=CC2=NCCCC2C1.
What is the InChIKey of 6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The InChIKey is NUSXUJRGGQOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,6-hexahydroquinoline?
6-methyl-2,3,4,4a,5,6-hexahydroquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,6-hexahydroquinoline is sourced from PubChem (CID 123235227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).