N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine

C17H26N2O — CID 65159657

IUPACN-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCCNC1CCN(CCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-18-16-10-12-19(11-9-14-6-5-13-20-14)17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyXRNWTXREUHXGRS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds5

About N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine

N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 65159657) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
PubChem CID65159657
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCCNC1CCN(CCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-18-16-10-12-19(11-9-14-6-5-13-20-14)17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyXRNWTXREUHXGRS-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine (CID 65159657) is N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine is CCNC1CCN(CCC2CCCO2)c2ccccc21.
What is the InChIKey of N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is XRNWTXREUHXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-16-10-12-19(11-9-14-6-5-13-20-14)17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3.
What are the key properties of N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine?
N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 65159657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).