tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate

C14H20N2O2 — CID 121334667

IUPACtert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCc2ncccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-4-7-11-10(12)6-5-9-15-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPQEPEGOSPQGOSP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate

tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate (PubChem CID 121334667) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
PubChem CID121334667
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCc2ncccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-4-7-11-10(12)6-5-9-15-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPQEPEGOSPQGOSP-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 178015225
tert-butyl N-[(1R)-5-[5-[(5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 164817450
tert-butyl N-[(1R)-5-(N'-hydroxycarbamimidoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 123394794
tert-butyl N-[(1R)-5-[(Z)-N'-hydroxycarbamimidoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 140565327
5,6,7,8-tetrahydroquinolin-5-ylhydrazine
CID 53418196
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
CID 52938554
2-[4-(5,6,7,8-tetrahydroquinolin-5-ylcarbamoyl)phenoxy]acetic acid
CID 167990039
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 134337615
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 129385774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate (CID 121334667) is tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate is CC(C)(C)OC(=O)NC1CCCc2ncccc21.
What is the InChIKey of tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate?
The InChIKey is PQEPEGOSPQGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-4-7-11-10(12)6-5-9-15-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate?
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate is sourced from PubChem (CID 121334667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).