3-butyl-2,4-dimethylquinolin-8-amine

C15H20N2 — CID 134910619

IUPAC3-butyl-2,4-dimethylquinolin-8-amine
SMILESCCCCc1c(C)nc2c(N)cccc2c1C
InChIInChI=1S/C15H20N2/c1-4-5-7-12-10(2)13-8-6-9-14(16)15(13)17-11(12)3/h6,8-9H,4-5,7,16H2,1-3H3
InChIKeyWSTQHQNRTXQOHP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.78
Rot. Bonds3

About 3-butyl-2,4-dimethylquinolin-8-amine

3-butyl-2,4-dimethylquinolin-8-amine (PubChem CID 134910619) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-butyl-2,4-dimethylquinolin-8-amine.

Molecular Properties

Compound Name3-butyl-2,4-dimethylquinolin-8-amine
PubChem CID134910619
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-butyl-2,4-dimethylquinolin-8-amine
SMILESCCCCc1c(C)nc2c(N)cccc2c1C
InChIInChI=1S/C15H20N2/c1-4-5-7-12-10(2)13-8-6-9-14(16)15(13)17-11(12)3/h6,8-9H,4-5,7,16H2,1-3H3
InChIKeyWSTQHQNRTXQOHP-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butyl-2,4-dimethylquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decylbenzene-1,3-diamine
CID 141061522
2-butyl-3-chloroaniline
CID 14012386
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
9,10-dibutylanthracene
CID 605822
(2,8-dimethyl-3-propylquinolin-4-yl) carbamimidothioate
CID 1423393
(3-ethyl-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250072
9-butyl-10-methylanthracene
CID 22754688
1,2,4,6-tetramethyl-3-pentylphenanthridine
CID 157487079
9-butylacridine
CID 606127
3,4-dibutyl-1-methylisoquinoline
CID 71619287
2-butylsulfanyl-3-methylaniline
CID 115551262
10-octylanthracen-9-amine
CID 87887624

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,4-dimethylquinolin-8-amine?
The IUPAC name of 3-butyl-2,4-dimethylquinolin-8-amine (CID 134910619) is 3-butyl-2,4-dimethylquinolin-8-amine.
What is the SMILES notation for 3-butyl-2,4-dimethylquinolin-8-amine?
The canonical SMILES for 3-butyl-2,4-dimethylquinolin-8-amine is CCCCc1c(C)nc2c(N)cccc2c1C.
What is the InChIKey of 3-butyl-2,4-dimethylquinolin-8-amine?
The InChIKey is WSTQHQNRTXQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-5-7-12-10(2)13-8-6-9-14(16)15(13)17-11(12)3/h6,8-9H,4-5,7,16H2,1-3H3.
What are the key properties of 3-butyl-2,4-dimethylquinolin-8-amine?
3-butyl-2,4-dimethylquinolin-8-amine has a molecular weight of 228.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,4-dimethylquinolin-8-amine is sourced from PubChem (CID 134910619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).