N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine

C17H24N2O — CID 107387767

IUPACN-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
SMILESCCC(CNCC(C)C)Oc1cnc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-4-15(11-18-10-13(2)3)20-16-9-14-7-5-6-8-17(14)19-12-16/h5-9,12-13,15,18H,4,10-11H2,1-3H3
InChIKeyWSIQACUVUBBADJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds7

About N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine

N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine (PubChem CID 107387767) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
PubChem CID107387767
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
SMILESCCC(CNCC(C)C)Oc1cnc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-4-15(11-18-10-13(2)3)20-16-9-14-7-5-6-8-17(14)19-12-16/h5-9,12-13,15,18H,4,10-11H2,1-3H3
InChIKeyWSIQACUVUBBADJ-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.64
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-quinolin-3-yloxybutan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine (CID 107387767) is N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine is CCC(CNCC(C)C)Oc1cnc2ccccc2c1.
What is the InChIKey of N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine?
The InChIKey is WSIQACUVUBBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-15(11-18-10-13(2)3)20-16-9-14-7-5-6-8-17(14)19-12-16/h5-9,12-13,15,18H,4,10-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine?
N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.64, 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-quinolin-3-yloxybutan-1-amine is sourced from PubChem (CID 107387767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).