(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline

C10H15N — CID 135042631

IUPAC(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1=N[C@@H]2CCCC[C@@H]2C=C1
InChIInChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6-7,9-10H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyPDUYNEPYTMGKHA-NXEZZACHSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline

(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 135042631) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID135042631
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1=N[C@@H]2CCCC[C@@H]2C=C1
InChIInChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6-7,9-10H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyPDUYNEPYTMGKHA-NXEZZACHSA-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

Analyze (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline with MolForge

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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
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)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 138970054
(4aR,8aR)-2-chloro-4a,5,6,7,8,8a-hexahydroquinoline
CID 162398898
(4aR,8aR)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 162420089
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
2,3,4,4a-Tetrahydroquinoline
CID 20394214
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
3,3a,4,6a,9,9b-hexahydro-2H-benzo[de]quinoline
CID 56616023

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline (CID 135042631) is (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline is CC1=N[C@@H]2CCCC[C@@H]2C=C1.
What is the InChIKey of (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is PDUYNEPYTMGKHA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6-7,9-10H,2-5H2,1H3/t9-,10-/m1/s1.
What are the key properties of (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-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 (4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 135042631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).