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

C16H24N2O2 — CID 112757446

IUPACtert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19)
InChIKeyLKBOYHKHCHQRDC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds3

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

tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate (PubChem CID 112757446) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
PubChem CID112757446
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19)
InChIKeyLKBOYHKHCHQRDC-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate
CID 143796003
tert-butyl N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553563
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate (CID 112757446) is tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The InChIKey is LKBOYHKHCHQRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate is sourced from PubChem (CID 112757446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).