7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline

C10H17N — CID 89247734

IUPAC7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline
SMILESCC1=CCC2CCCNC2C1
InChIInChI=1S/C10H17N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h4,9-11H,2-3,5-7H2,1H3
InChIKeyULRXNBBPJPCCRA-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.09
Rot. Bonds

About 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline

7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline (PubChem CID 89247734) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline
PubChem CID89247734
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline
SMILESCC1=CCC2CCCNC2C1
InChIInChI=1S/C10H17N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h4,9-11H,2-3,5-7H2,1H3
InChIKeyULRXNBBPJPCCRA-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline?
The IUPAC name of 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline (CID 89247734) is 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline?
The canonical SMILES for 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline is CC1=CCC2CCCNC2C1.
What is the InChIKey of 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline?
The InChIKey is ULRXNBBPJPCCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h4,9-11H,2-3,5-7H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline?
7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline has a molecular weight of 151.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline is sourced from PubChem (CID 89247734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).