tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate

C15H22N2O2 — CID 16785660

IUPACtert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyGFGYULDAOAYOAA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate

tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate (PubChem CID 16785660) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
PubChem CID16785660
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyGFGYULDAOAYOAA-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate (CID 16785660) is tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CCc2ccccc2N1.
What is the InChIKey of tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The InChIKey is GFGYULDAOAYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate is sourced from PubChem (CID 16785660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).