2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine

C17H24N2O — CID 62353249

IUPAC2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine
SMILESCCCNCC(C)(CC)Oc1cccc2cccnc12
InChIInChI=1S/C17H24N2O/c1-4-11-18-13-17(3,5-2)20-15-10-6-8-14-9-7-12-19-16(14)15/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyXMYZSAMIOISRTR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.78
Rot. Bonds7

About 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine

2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine (PubChem CID 62353249) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine
PubChem CID62353249
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine
SMILESCCCNCC(C)(CC)Oc1cccc2cccnc12
InChIInChI=1S/C17H24N2O/c1-4-11-18-13-17(3,5-2)20-15-10-6-8-14-9-7-12-19-16(14)15/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyXMYZSAMIOISRTR-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(propylamino)-3-quinolin-8-yloxypropan-2-ol
CID 66335947
N-propyl-5-quinolin-8-yloxypentan-1-amine
CID 62484408
N-ethyl-2-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62354633
N-propyl-6-quinolin-8-yloxypyridin-2-amine
CID 80874687
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
N-(2-quinolin-8-yloxypropyl)pentan-1-amine
CID 62597847
N-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874681
N-propyl-6-quinolin-8-yloxypyrazin-2-amine
CID 80874686
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine?
The IUPAC name of 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine (CID 62353249) is 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine is CCCNCC(C)(CC)Oc1cccc2cccnc12.
What is the InChIKey of 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine?
The InChIKey is XMYZSAMIOISRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-11-18-13-17(3,5-2)20-15-10-6-8-14-9-7-12-19-16(14)15/h6-10,12,18H,4-5,11,13H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine?
2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine is sourced from PubChem (CID 62353249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).