5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine

C15H21N3O — CID 114940553

IUPAC5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
SMILESCCOC(C)(C)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-4-19-15(2,3)10-18-13-8-7-12(16)14-11(13)6-5-9-17-14/h5-9,18H,4,10,16H2,1-3H3
InChIKeySLOYMULFTAECIX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.04
Rot. Bonds5

About 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine

5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine (PubChem CID 114940553) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
PubChem CID114940553
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
SMILESCCOC(C)(C)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-4-19-15(2,3)10-18-13-8-7-12(16)14-11(13)6-5-9-17-14/h5-9,18H,4,10,16H2,1-3H3
InChIKeySLOYMULFTAECIX-UHFFFAOYSA-N
XLogP3.04
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
CID 63243660
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine (CID 114940553) is 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine is CCOC(C)(C)CNc1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine?
The InChIKey is SLOYMULFTAECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-19-15(2,3)10-18-13-8-7-12(16)14-11(13)6-5-9-17-14/h5-9,18H,4,10,16H2,1-3H3.
What are the key properties of 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine?
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine has a molecular weight of 259.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 114940553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).