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

C10H15N — CID 129238576

IUPAC7-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1CCC2C=CC=NC2C1
InChIInChI=1S/C10H15N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyHEUBRNLLNQFTSX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.43
Rot. Bonds

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

7-methyl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 129238576) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name7-methyl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID129238576
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name7-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1CCC2C=CC=NC2C1
InChIInChI=1S/C10H15N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyHEUBRNLLNQFTSX-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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline (CID 129238576) is 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline is CC1CCC2C=CC=NC2C1.
What is the InChIKey of 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is HEUBRNLLNQFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-3,6,8-10H,4-5,7H2,1H3.
What are the key properties of 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
7-methyl-4a,5,6,7,8,8a-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 7-methyl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 129238576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).