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

C15H23IN2 — CID 15945706

IUPAC4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
SMILESI.[H]/N=c1/c2c(n(CCC)c3c1CCC3)CCCC2
InChIInChI=1S/C15H22N2.HI/c1-2-10-17-13-8-4-3-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H/b16-15-;
InChIKeyVRZGAPQPAUTILB-YFKNTREVSA-N
MW358.27 g/mol
LogP3.36
Rot. Bonds2

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

4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide (PubChem CID 15945706) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide.

Molecular Properties

Compound Name4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
PubChem CID15945706
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
SMILESI.[H]/N=c1/c2c(n(CCC)c3c1CCC3)CCCC2
InChIInChI=1S/C15H22N2.HI/c1-2-10-17-13-8-4-3-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H/b16-15-;
InChIKeyVRZGAPQPAUTILB-YFKNTREVSA-N
XLogP3.36
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The IUPAC name of 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide (CID 15945706) is 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide.
What is the SMILES notation for 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The canonical SMILES for 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide is I.[H]/N=c1/c2c(n(CCC)c3c1CCC3)CCCC2.
What is the InChIKey of 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The InChIKey is VRZGAPQPAUTILB-YFKNTREVSA-N. The full InChI is InChI=1S/C15H22N2.HI/c1-2-10-17-13-8-4-3-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H/b16-15-;.
What are the key properties of 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide has a molecular weight of 358.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide is sourced from PubChem (CID 15945706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).