5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol

C16H23N3O — CID 106141173

IUPAC5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-16(2,8-4-10-20)11-19-14-7-6-13(17)15-12(14)5-3-9-18-15/h3,5-7,9,19-20H,4,8,10-11,17H2,1-2H3
InChIKeyHBDIBNPZBIKISE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds6

About 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol

5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106141173) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106141173
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-16(2,8-4-10-20)11-19-14-7-6-13(17)15-12(14)5-3-9-18-15/h3,5-7,9,19-20H,4,8,10-11,17H2,1-2H3
InChIKeyHBDIBNPZBIKISE-UHFFFAOYSA-N
XLogP3.03
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
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-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990

Frequently Asked Questions

What is the IUPAC name of 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol (CID 106141173) is 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1ccc(N)c2ncccc12.
What is the InChIKey of 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is HBDIBNPZBIKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,8-4-10-20)11-19-14-7-6-13(17)15-12(14)5-3-9-18-15/h3,5-7,9,19-20H,4,8,10-11,17H2,1-2H3.
What are the key properties of 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).