tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate

C15H22N2O2 — CID 50986494

IUPACtert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyJRYYOMGORGXDCZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate

tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate (PubChem CID 50986494) 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-6-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate
PubChem CID50986494
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyJRYYOMGORGXDCZ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-6-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate (CID 50986494) is tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2.
What is the InChIKey of tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate?
The InChIKey is JRYYOMGORGXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate?
tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.07, 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-6-ylmethyl)carbamate is sourced from PubChem (CID 50986494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).