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

C15H23N — CID 123571075

IUPAC8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC1=CC2CCCC(C3CCCCC3)C2N=C1
InChIInChI=1S/C15H23N/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14/h5,9,11-15H,1-4,6-8,10H2
InChIKeyQRHAZIWMPPCYBX-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.99
Rot. Bonds1

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

8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 123571075) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID123571075
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC1=CC2CCCC(C3CCCCC3)C2N=C1
InChIInChI=1S/C15H23N/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14/h5,9,11-15H,1-4,6-8,10H2
InChIKeyQRHAZIWMPPCYBX-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
8-[(2R)-butan-2-yl]-3,4,4a,7,8,8a-hexahydroquinoline
CID 68340966
2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
CID 70325313
8-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 89973776
7-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 89973778
8-Methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 90905842
2,3,4,4a,5,6,6a,10a-Octahydro-1,10-phenanthroline
CID 90956329
8-Pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 123827757
6-Methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 137438982
3,4,4a,5,6,6a,10a,10b-Octahydro-1,10-phenanthroline
CID 138578160
2-(4-Methylcyclohex-2-en-1-yl)-2,3-dihydropyridine
CID 143683325

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline (CID 123571075) is 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline is C1=CC2CCCC(C3CCCCC3)C2N=C1.
What is the InChIKey of 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is QRHAZIWMPPCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14/h5,9,11-15H,1-4,6-8,10H2.
What are the key properties of 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline?
8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 123571075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).