N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine

C18H26N2O — CID 62486243

IUPACN-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine
SMILESCCC(CNCC(C)C)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C18H26N2O/c1-5-16(12-19-11-13(2)3)21-17-8-6-7-15-10-9-14(4)20-18(15)17/h6-10,13,16,19H,5,11-12H2,1-4H3
InChIKeyGITKBVIEKVFMCY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds7

About N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine

N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine (PubChem CID 62486243) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine
PubChem CID62486243
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine
SMILESCCC(CNCC(C)C)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C18H26N2O/c1-5-16(12-19-11-13(2)3)21-17-8-6-7-15-10-9-14(4)20-18(15)17/h6-10,13,16,19H,5,11-12H2,1-4H3
InChIKeyGITKBVIEKVFMCY-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine (CID 62486243) is N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine is CCC(CNCC(C)C)Oc1cccc2ccc(C)nc12.
What is the InChIKey of N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine?
The InChIKey is GITKBVIEKVFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-16(12-19-11-13(2)3)21-17-8-6-7-15-10-9-14(4)20-18(15)17/h6-10,13,16,19H,5,11-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine?
N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine is sourced from PubChem (CID 62486243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).