4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine

C16H22N4 — CID 105413899

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
SMILESCN(C)C1(CNc2ccnc3c(N)cccc23)CCC1
InChIInChI=1S/C16H22N4/c1-20(2)16(8-4-9-16)11-19-14-7-10-18-15-12(14)5-3-6-13(15)17/h3,5-7,10H,4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyJFGYZBMKQFDFCC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds4

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine (PubChem CID 105413899) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
PubChem CID105413899
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
SMILESCN(C)C1(CNc2ccnc3c(N)cccc23)CCC1
InChIInChI=1S/C16H22N4/c1-20(2)16(8-4-9-16)11-19-14-7-10-18-15-12(14)5-3-6-13(15)17/h3,5-7,10H,4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyJFGYZBMKQFDFCC-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
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

4-N-[(2-methyloxolan-2-yl)methyl]quinoline-4,8-diamine
CID 83061056
4-N-[(2-methylthiolan-2-yl)methyl]quinoline-4,8-diamine
CID 83060985
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
[1-[(8-aminoquinolin-4-yl)amino]cyclopentyl]methanol
CID 83060230
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine (CID 105413899) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine is CN(C)C1(CNc2ccnc3c(N)cccc23)CCC1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine?
The InChIKey is JFGYZBMKQFDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20(2)16(8-4-9-16)11-19-14-7-10-18-15-12(14)5-3-6-13(15)17/h3,5-7,10H,4,8-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine is sourced from PubChem (CID 105413899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).