N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine

C17H20N2O — CID 63377355

IUPACN-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(OC3CCC3)cc(CNC3CC3)nc2c1
InChIInChI=1S/C17H20N2O/c1-2-7-16-15(6-1)17(20-14-4-3-5-14)10-13(19-16)11-18-12-8-9-12/h1-2,6-7,10,12,14,18H,3-5,8-9,11H2
InChIKeyGCDAZOYMCPVMMH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.42
Rot. Bonds5

About N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine

N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine (PubChem CID 63377355) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
PubChem CID63377355
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(OC3CCC3)cc(CNC3CC3)nc2c1
InChIInChI=1S/C17H20N2O/c1-2-7-16-15(6-1)17(20-14-4-3-5-14)10-13(19-16)11-18-12-8-9-12/h1-2,6-7,10,12,14,18H,3-5,8-9,11H2
InChIKeyGCDAZOYMCPVMMH-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine (CID 63377355) is N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine is c1ccc2c(OC3CCC3)cc(CNC3CC3)nc2c1.
What is the InChIKey of N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine?
The InChIKey is GCDAZOYMCPVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-7-16-15(6-1)17(20-14-4-3-5-14)10-13(19-16)11-18-12-8-9-12/h1-2,6-7,10,12,14,18H,3-5,8-9,11H2.
What are the key properties of N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine?
N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63377355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).