1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline

C11H19N — CID 135226691

IUPAC1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline
SMILESCC1=CCCC2C1CCCN2C
InChIInChI=1S/C11H19N/c1-9-5-3-7-11-10(9)6-4-8-12(11)2/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyJXDYVCALVJCWSS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds

About 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline

1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline (PubChem CID 135226691) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline
PubChem CID135226691
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline
SMILESCC1=CCCC2C1CCCN2C
InChIInChI=1S/C11H19N/c1-9-5-3-7-11-10(9)6-4-8-12(11)2/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyJXDYVCALVJCWSS-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline?
The IUPAC name of 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline (CID 135226691) is 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline is CC1=CCCC2C1CCCN2C.
What is the InChIKey of 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline?
The InChIKey is JXDYVCALVJCWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-3-7-11-10(9)6-4-8-12(11)2/h5,10-11H,3-4,6-8H2,1-2H3.
What are the key properties of 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline?
1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 165.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 135226691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).