3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine

C17H22N2O — CID 103921121

IUPAC3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-3-20-15-9-14(10-15)18-11-13-8-12(2)19-17-7-5-4-6-16(13)17/h4-8,14-15,18H,3,9-11H2,1-2H3
InChIKeyGYFXKVCKNWCHAC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds5

About 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 103921121) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine
PubChem CID103921121
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-3-20-15-9-14(10-15)18-11-13-8-12(2)19-17-7-5-4-6-16(13)17/h4-8,14-15,18H,3,9-11H2,1-2H3
InChIKeyGYFXKVCKNWCHAC-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine (CID 103921121) is 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2cc(C)nc3ccccc23)C1.
What is the InChIKey of 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is GYFXKVCKNWCHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-20-15-9-14(10-15)18-11-13-8-12(2)19-17-7-5-4-6-16(13)17/h4-8,14-15,18H,3,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103921121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).