N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine

C16H20N2O — CID 103066920

IUPACN-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COc1cccc2ccc(C)nc12
InChIInChI=1S/C16H20N2O/c1-4-17-10-12(2)11-19-15-7-5-6-14-9-8-13(3)18-16(14)15/h5-9,17H,2,4,10-11H2,1,3H3
InChIKeyGEGZJRKJKFGZLY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds6

About N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine

N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine (PubChem CID 103066920) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine
PubChem CID103066920
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COc1cccc2ccc(C)nc12
InChIInChI=1S/C16H20N2O/c1-4-17-10-12(2)11-19-15-7-5-6-14-9-8-13(3)18-16(14)15/h5-9,17H,2,4,10-11H2,1,3H3
InChIKeyGEGZJRKJKFGZLY-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine (CID 103066920) is N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine is C=C(CNCC)COc1cccc2ccc(C)nc12.
What is the InChIKey of N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
The InChIKey is GEGZJRKJKFGZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-17-10-12(2)11-19-15-7-5-6-14-9-8-13(3)18-16(14)15/h5-9,17H,2,4,10-11H2,1,3H3.
What are the key properties of N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine?
N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylquinolin-8-yl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103066920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).