tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate

C14H21N3O2 — CID 174736347

IUPACtert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(N)N1CCCc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(15)16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10,15H2,1-3H3
InChIKeyHWQOOSPQSWCGDT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate

tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate (PubChem CID 174736347) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
PubChem CID174736347
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(N)N1CCCc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(15)16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10,15H2,1-3H3
InChIKeyHWQOOSPQSWCGDT-UHFFFAOYSA-N
XLogP2.46
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate (CID 174736347) is tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate is CC(C)(C)OC(=O)N(N)N1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The InChIKey is HWQOOSPQSWCGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17(15)16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10,15H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate is sourced from PubChem (CID 174736347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).