tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

C15H22N2O2 — CID 2756486

IUPACtert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CCC1CN
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12(10-16)9-8-11-6-4-5-7-13(11)17/h4-7,12H,8-10,16H2,1-3H3
InChIKeyKWPOCVIPRLCCHW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 2756486) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID2756486
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CCC1CN
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12(10-16)9-8-11-6-4-5-7-13(11)17/h4-7,12H,8-10,16H2,1-3H3
InChIKeyKWPOCVIPRLCCHW-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(aminomethyl)-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 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 2756486) is tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2CCC1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is KWPOCVIPRLCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12(10-16)9-8-11-6-4-5-7-13(11)17/h4-7,12H,8-10,16H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 2756486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).