2-tert-butyl-4-N-methylquinoline-4,6-diamine

C14H19N3 — CID 112655262

IUPAC2-tert-butyl-4-N-methylquinoline-4,6-diamine
SMILESCNc1cc(C(C)(C)C)nc2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySRRGNYJKDXZFTI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.16
Rot. Bonds1

About 2-tert-butyl-4-N-methylquinoline-4,6-diamine

2-tert-butyl-4-N-methylquinoline-4,6-diamine (PubChem CID 112655262) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-tert-butyl-4-N-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-methylquinoline-4,6-diamine
PubChem CID112655262
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-tert-butyl-4-N-methylquinoline-4,6-diamine
SMILESCNc1cc(C(C)(C)C)nc2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySRRGNYJKDXZFTI-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.16
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

2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
CID 63483860
2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 103996756
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 63481640
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62201831
2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
CID 63479725
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
4-N,2-diethylquinoline-4,6-diamine
CID 112655264
4-tert-butyl-2-chloroquinazolin-6-amine
CID 105497168
6-bromo-2-tert-butylquinolin-4-amine
CID 62196775
4-N-ethyl-2-propylquinoline-4,6-diamine
CID 112655265

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-methylquinoline-4,6-diamine (CID 112655262) is 2-tert-butyl-4-N-methylquinoline-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-methylquinoline-4,6-diamine is CNc1cc(C(C)(C)C)nc2ccc(N)cc12.
What is the InChIKey of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The InChIKey is SRRGNYJKDXZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
2-tert-butyl-4-N-methylquinoline-4,6-diamine has a molecular weight of 229.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-methylquinoline-4,6-diamine is sourced from PubChem (CID 112655262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).