5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine

C16H22N4 — CID 83004330

IUPAC5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
SMILESCC1CCCC(C)N1Nc1ccc(N)c2ncccc12
InChIInChI=1S/C16H22N4/c1-11-5-3-6-12(2)20(11)19-15-9-8-14(17)16-13(15)7-4-10-18-16/h4,7-12,19H,3,5-6,17H2,1-2H3
InChIKeyCMDZBSRAORCHHO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds2

About 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine

5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine (PubChem CID 83004330) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
PubChem CID83004330
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
SMILESCC1CCCC(C)N1Nc1ccc(N)c2ncccc12
InChIInChI=1S/C16H22N4/c1-11-5-3-6-12(2)20(11)19-15-9-8-14(17)16-13(15)7-4-10-18-16/h4,7-12,19H,3,5-6,17H2,1-2H3
InChIKeyCMDZBSRAORCHHO-UHFFFAOYSA-N
XLogP3.41
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-morpholin-4-ylquinoline-5,8-diamine
CID 83004132
5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
CID 63243660
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
5-N-cyclopentyl-5-N-methylquinoline-5,8-diamine
CID 43382838
5-N-(2,3-dihydro-1H-inden-2-yl)quinoline-5,8-diamine
CID 107844436
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine (CID 83004330) is 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine is CC1CCCC(C)N1Nc1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine?
The InChIKey is CMDZBSRAORCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-5-3-6-12(2)20(11)19-15-9-8-14(17)16-13(15)7-4-10-18-16/h4,7-12,19H,3,5-6,17H2,1-2H3.
What are the key properties of 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine?
5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine is sourced from PubChem (CID 83004330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).