4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine

C14H19N3 — CID 83058211

IUPAC4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
SMILESCCC(C)(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C14H19N3/c1-4-14(2,3)17-12-8-9-16-13-10(12)6-5-7-11(13)15/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeySPWYNAUDNTXQJP-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.42
Rot. Bonds3

About 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine

4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine (PubChem CID 83058211) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
PubChem CID83058211
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
SMILESCCC(C)(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C14H19N3/c1-4-14(2,3)17-12-8-9-16-13-10(12)6-5-7-11(13)15/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeySPWYNAUDNTXQJP-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.42
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

3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
CID 105413899
4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 83061124
4-N-cyclopropylquinoline-4,8-diamine
CID 83059537

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine (CID 83058211) is 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine is CCC(C)(C)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine?
The InChIKey is SPWYNAUDNTXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-14(2,3)17-12-8-9-16-13-10(12)6-5-7-11(13)15/h5-9H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine?
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine has a molecular weight of 229.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83058211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).