2,3,4,6,7,8-hexahydroquinoline

C9H13N — CID 10986285

IUPAC2,3,4,6,7,8-hexahydroquinoline
SMILESC1=C2CCCN=C2CCC1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h4H,1-3,5-7H2
InChIKeyCIMFFLFLOMAAMR-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.33
Rot. Bonds

About 2,3,4,6,7,8-hexahydroquinoline

2,3,4,6,7,8-hexahydroquinoline (PubChem CID 10986285) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydroquinoline
PubChem CID10986285
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,3,4,6,7,8-hexahydroquinoline
SMILESC1=C2CCCN=C2CCC1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h4H,1-3,5-7H2
InChIKeyCIMFFLFLOMAAMR-UHFFFAOYSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,6,7,8-hexahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Koreenceine A
CID 146683591
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
4,6,7,8-Tetrahydroquinoline
CID 54001033
Azabicyclononene
CID 67125311
Azabi-cyclooctene
CID 67389294
Azabicyclohexene
CID 67825525
Azabicycloheptene
CID 68526712
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
CID 174141813
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422
1-(cyclohexen-1-yl)-N-cyclohexylpropan-1-imine
CID 86006548
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydroquinoline?
The IUPAC name of 2,3,4,6,7,8-hexahydroquinoline (CID 10986285) is 2,3,4,6,7,8-hexahydroquinoline.
What is the SMILES notation for 2,3,4,6,7,8-hexahydroquinoline?
The canonical SMILES for 2,3,4,6,7,8-hexahydroquinoline is C1=C2CCCN=C2CCC1.
What is the InChIKey of 2,3,4,6,7,8-hexahydroquinoline?
The InChIKey is CIMFFLFLOMAAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h4H,1-3,5-7H2.
What are the key properties of 2,3,4,6,7,8-hexahydroquinoline?
2,3,4,6,7,8-hexahydroquinoline has a molecular weight of 135.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydroquinoline is sourced from PubChem (CID 10986285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).