tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

C20H32N2O2 — CID 113256679

IUPACtert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCC(C)(C)NCc1cccc2c1N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C20H32N2O2/c1-7-20(5,6)21-14-16-11-8-10-15-12-9-13-22(17(15)16)18(23)24-19(2,3)4/h8,10-11,21H,7,9,12-14H2,1-6H3
InChIKeyFVEYQXGIMZCPBH-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 113256679) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID113256679
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCC(C)(C)NCc1cccc2c1N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C20H32N2O2/c1-7-20(5,6)21-14-16-11-8-10-15-12-9-13-22(17(15)16)18(23)24-19(2,3)4/h8,10-11,21H,7,9,12-14H2,1-6H3
InChIKeyFVEYQXGIMZCPBH-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate 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 tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 113256679) is tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is CCC(C)(C)NCc1cccc2c1N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is FVEYQXGIMZCPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-20(5,6)21-14-16-11-8-10-15-12-9-13-22(17(15)16)18(23)24-19(2,3)4/h8,10-11,21H,7,9,12-14H2,1-6H3.
What are the key properties of tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 332.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 113256679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).