N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine

C20H28N2 — CID 82448549

IUPACN-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc(C)c2nc(C(C)C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C20H28N2/c1-13(2)19-11-16(12-21-17-7-5-6-8-17)18-10-14(3)9-15(4)20(18)22-19/h9-11,13,17,21H,5-8,12H2,1-4H3
InChIKeySHOMEYZPOHBYSG-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.01
Rot. Bonds4

About N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine

N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 82448549) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID82448549
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc(C)c2nc(C(C)C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C20H28N2/c1-13(2)19-11-16(12-21-17-7-5-6-8-17)18-10-14(3)9-15(4)20(18)22-19/h9-11,13,17,21H,5-8,12H2,1-4H3
InChIKeySHOMEYZPOHBYSG-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine (CID 82448549) is N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine is Cc1cc(C)c2nc(C(C)C)cc(CNC3CCCC3)c2c1.
What is the InChIKey of N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is SHOMEYZPOHBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-13(2)19-11-16(12-21-17-7-5-6-8-17)18-10-14(3)9-15(4)20(18)22-19/h9-11,13,17,21H,5-8,12H2,1-4H3.
What are the key properties of N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 296.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82448549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).