4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine

C16H23N3 — CID 83143113

IUPAC4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
SMILESCC(CNc1ccnc2c(N)cccc12)C(C)(C)C
InChIInChI=1S/C16H23N3/c1-11(16(2,3)4)10-19-14-8-9-18-15-12(14)6-5-7-13(15)17/h5-9,11H,10,17H2,1-4H3,(H,18,19)
InChIKeyCCWGRRZIZADZNO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.91
Rot. Bonds3

About 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine

4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine (PubChem CID 83143113) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
PubChem CID83143113
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
SMILESCC(CNc1ccnc2c(N)cccc12)C(C)(C)C
InChIInChI=1S/C16H23N3/c1-11(16(2,3)4)10-19-14-8-9-18-15-12(14)6-5-7-13(15)17/h5-9,11H,10,17H2,1-4H3,(H,18,19)
InChIKeyCCWGRRZIZADZNO-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 83061124
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
CID 105413899

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine (CID 83143113) is 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine is CC(CNc1ccnc2c(N)cccc12)C(C)(C)C.
What is the InChIKey of 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine?
The InChIKey is CCWGRRZIZADZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(16(2,3)4)10-19-14-8-9-18-15-12(14)6-5-7-13(15)17/h5-9,11H,10,17H2,1-4H3,(H,18,19).
What are the key properties of 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine?
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine is sourced from PubChem (CID 83143113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).