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

C13H19IN2 — CID 3079310

IUPAC4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
SMILESI.[H]/N=c1\c2c(n(C)c3c1CCC3)CCCC2
InChIInChI=1S/C13H18N2.HI/c1-15-11-7-3-2-5-9(11)13(14)10-6-4-8-12(10)15;/h14H,2-8H2,1H3;1H/b14-13+;
InChIKeyWWJMVYZSUNBAIV-IERUDJENSA-N
MW330.21 g/mol
LogP2.49
Rot. Bonds

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

4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide (PubChem CID 3079310) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide.

Molecular Properties

Compound Name4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
PubChem CID3079310
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC Name4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide
SMILESI.[H]/N=c1\c2c(n(C)c3c1CCC3)CCCC2
InChIInChI=1S/C13H18N2.HI/c1-15-11-7-3-2-5-9(11)13(14)10-6-4-8-12(10)15;/h14H,2-8H2,1H3;1H/b14-13+;
InChIKeyWWJMVYZSUNBAIV-IERUDJENSA-N
XLogP2.49
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.49
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-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The IUPAC name of 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide (CID 3079310) is 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide.
What is the SMILES notation for 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The canonical SMILES for 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide is I.[H]/N=c1\c2c(n(C)c3c1CCC3)CCCC2.
What is the InChIKey of 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
The InChIKey is WWJMVYZSUNBAIV-IERUDJENSA-N. The full InChI is InChI=1S/C13H18N2.HI/c1-15-11-7-3-2-5-9(11)13(14)10-6-4-8-12(10)15;/h14H,2-8H2,1H3;1H/b14-13+;.
What are the key properties of 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide?
4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide has a molecular weight of 330.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydroiodide is sourced from PubChem (CID 3079310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).