tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate

C14H21N3O2 — CID 86643888

IUPACtert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(N)cnc2C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-11-5-4-9-6-10(15)8-16-12(9)7-11/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18)
InChIKeyYYLUDLPSLJSRSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds1

About tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate

tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate (PubChem CID 86643888) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
PubChem CID86643888
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(N)cnc2C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-11-5-4-9-6-10(15)8-16-12(9)7-11/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18)
InChIKeyYYLUDLPSLJSRSV-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
CID 131739721
tert-butyl N-[(6S)-3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053985
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
CID 70861981
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 124560791
tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 66679493
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 46941969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate (CID 86643888) is tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2cc(N)cnc2C1.
What is the InChIKey of tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate?
The InChIKey is YYLUDLPSLJSRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-11-5-4-9-6-10(15)8-16-12(9)7-11/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate?
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate is sourced from PubChem (CID 86643888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).