2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine

C20H28N4 — CID 167067037

IUPAC2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC)nc3ccccc3c2n1CC(C)(C)C
InChIInChI=1S/C20H28N4/c1-6-7-12-16-23-17-18(24(16)13-20(2,3)4)14-10-8-9-11-15(14)22-19(17)21-5/h8-11H,6-7,12-13H2,1-5H3,(H,21,22)
InChIKeyYYJBMFDPMGBZFW-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.01
Rot. Bonds5

About 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine

2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine (PubChem CID 167067037) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
PubChem CID167067037
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC)nc3ccccc3c2n1CC(C)(C)C
InChIInChI=1S/C20H28N4/c1-6-7-12-16-23-17-18(24(16)13-20(2,3)4)14-10-8-9-11-15(14)22-19(17)21-5/h8-11H,6-7,12-13H2,1-5H3,(H,21,22)
InChIKeyYYJBMFDPMGBZFW-UHFFFAOYSA-N
XLogP5.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
CID 126700153
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766222
N-tert-butyl-2-butyl-1-[[4-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)
CID 46831373
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
CID 138645098
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]octanamide
CID 138645094
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tridecanamide
CID 138644999
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine (CID 167067037) is 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NC)nc3ccccc3c2n1CC(C)(C)C.
What is the InChIKey of 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is YYJBMFDPMGBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-6-7-12-16-23-17-18(24(16)13-20(2,3)4)14-10-8-9-11-15(14)22-19(17)21-5/h8-11H,6-7,12-13H2,1-5H3,(H,21,22).
What are the key properties of 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 167067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).