(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline

C10H15N — CID 67595251

IUPAC(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1CC[C@@H]2CCC=CC2=N1
InChIInChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h3,5,8-9H,2,4,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyCAJBSXCWTHBAJS-GKAPJAKFSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline

(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline (PubChem CID 67595251) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline.

Molecular Properties

Compound Name(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
PubChem CID67595251
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCC1CC[C@@H]2CCC=CC2=N1
InChIInChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h3,5,8-9H,2,4,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyCAJBSXCWTHBAJS-GKAPJAKFSA-N
XLogP2.58
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 ≤ 52.58
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
7-Methyl-2,3,4,6,7,8-hexahydroquinoline
CID 85778147
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
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
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 71252705
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
2,3,4,4a-Tetrahydroquinoline
CID 20394214

Frequently Asked Questions

What is the IUPAC name of (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The IUPAC name of (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline (CID 67595251) is (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline.
What is the SMILES notation for (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The canonical SMILES for (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline is CC1CC[C@@H]2CCC=CC2=N1.
What is the InChIKey of (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline?
The InChIKey is CAJBSXCWTHBAJS-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h3,5,8-9H,2,4,6-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline?
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline is sourced from PubChem (CID 67595251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).