4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine

C18H28N2 — CID 3092835

IUPAC4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(CCCCCC)c3c1CCC3)CCCC2
InChIInChI=1S/C18H28N2/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)18(19)15-10-8-12-17(15)20/h19H,2-13H2,1H3/b19-18-
InChIKeyPOPDYOBLLPLQDF-HNENSFHCSA-N
MW272.44 g/mol
LogP3.92
Rot. Bonds5

About 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine

4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 3092835) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID3092835
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(CCCCCC)c3c1CCC3)CCCC2
InChIInChI=1S/C18H28N2/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)18(19)15-10-8-12-17(15)20/h19H,2-13H2,1H3/b19-18-
InChIKeyPOPDYOBLLPLQDF-HNENSFHCSA-N
XLogP3.92
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 3092835) is 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(CCCCCC)c3c1CCC3)CCCC2.
What is the InChIKey of 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is POPDYOBLLPLQDF-HNENSFHCSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)18(19)15-10-8-12-17(15)20/h19H,2-13H2,1H3/b19-18-.
What are the key properties of 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 272.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 3092835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).