4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine

C17H26N4 — CID 83065833

IUPAC4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C17H26N4/c1-12(2)10-13(11-21(3)4)20-16-8-9-19-17-14(16)6-5-7-15(17)18/h5-9,12-13H,10-11,18H2,1-4H3,(H,19,20)
InChIKeyHENXNGQCLKNIPH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds6

About 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine (PubChem CID 83065833) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
PubChem CID83065833
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C17H26N4/c1-12(2)10-13(11-21(3)4)20-16-8-9-19-17-14(16)6-5-7-15(17)18/h5-9,12-13H,10-11,18H2,1-4H3,(H,19,20)
InChIKeyHENXNGQCLKNIPH-UHFFFAOYSA-N
XLogP3.21
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
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-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
CID 83060583

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine (CID 83065833) is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine is CC(C)CC(CN(C)C)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine?
The InChIKey is HENXNGQCLKNIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)10-13(11-21(3)4)20-16-8-9-19-17-14(16)6-5-7-15(17)18/h5-9,12-13H,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine?
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine is sourced from PubChem (CID 83065833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).