2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine

C18H27N3 — CID 63373896

IUPAC2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3
InChIKeyWBJGDPPKBFKGPZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.97
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine

2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine (PubChem CID 63373896) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
PubChem CID63373896
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3
InChIKeyWBJGDPPKBFKGPZ-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine (CID 63373896) is 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine is CCN(CC)c1cc(CNC(C)(C)C)nc2ccccc12.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
The InChIKey is WBJGDPPKBFKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-21(7-2)17-12-14(13-19-18(3,4)5)20-16-11-9-8-10-15(16)17/h8-12,19H,6-7,13H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine?
2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine has a molecular weight of 285.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine is sourced from PubChem (CID 63373896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).