8-N-(2-methylcyclopentyl)quinoline-5,8-diamine

C15H19N3 — CID 63277803

IUPAC8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
SMILESCC1CCCC1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3/c1-10-4-2-6-13(10)18-14-8-7-12(16)11-5-3-9-17-15(11)14/h3,5,7-10,13,18H,2,4,6,16H2,1H3
InChIKeyPYBWPLIEMIVDJN-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.42
Rot. Bonds2

About 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine

8-N-(2-methylcyclopentyl)quinoline-5,8-diamine (PubChem CID 63277803) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
PubChem CID63277803
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
SMILESCC1CCCC1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3/c1-10-4-2-6-13(10)18-14-8-7-12(16)11-5-3-9-17-15(11)14/h3,5,7-10,13,18H,2,4,6,16H2,1H3
InChIKeyPYBWPLIEMIVDJN-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine (CID 63277803) is 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine is CC1CCCC1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine?
The InChIKey is PYBWPLIEMIVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-4-2-6-13(10)18-14-8-7-12(16)11-5-3-9-17-15(11)14/h3,5,7-10,13,18H,2,4,6,16H2,1H3.
What are the key properties of 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine?
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-methylcyclopentyl)quinoline-5,8-diamine is sourced from PubChem (CID 63277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).