4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine

C15H22N4 — CID 83057902

IUPAC4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
SMILESCCN(CC)CCNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)11-10-17-14-8-9-18-15-12(14)6-5-7-13(15)16/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyXJKRBCLNYQCUTE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.57
Rot. Bonds6

About 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine

4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine (PubChem CID 83057902) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
PubChem CID83057902
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
SMILESCCN(CC)CCNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)11-10-17-14-8-9-18-15-12(14)6-5-7-13(15)16/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyXJKRBCLNYQCUTE-UHFFFAOYSA-N
XLogP2.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
CID 82570281
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine (CID 83057902) is 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine is CCN(CC)CCNc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine?
The InChIKey is XJKRBCLNYQCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(4-2)11-10-17-14-8-9-18-15-12(14)6-5-7-13(15)16/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine?
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 83057902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).