5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol

C16H23N3O — CID 106141358

IUPAC5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc2cnccc2c1N
InChIInChI=1S/C16H23N3O/c1-16(2,7-3-9-20)11-19-14-5-4-12-10-18-8-6-13(12)15(14)17/h4-6,8,10,19-20H,3,7,9,11,17H2,1-2H3
InChIKeyGCGUJHJJDZOAOI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds6

About 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol

5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106141358) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106141358
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc2cnccc2c1N
InChIInChI=1S/C16H23N3O/c1-16(2,7-3-9-20)11-19-14-5-4-12-10-18-8-6-13(12)15(14)17/h4-6,8,10,19-20H,3,7,9,11,17H2,1-2H3
InChIKeyGCGUJHJJDZOAOI-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

2-[[8-(2-Methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol
CID 129244879
(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol
CID 155515503
(2S)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
CID 155525154
(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
CID 155567878
(2R)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
CID 155568346
4-(6-Quinolylamino)butan-1-ol
CID 118731132
4-(8-Quinolylamino)butan-1-ol
CID 118731133
2-Methyl-5-(8-quinolylamino)pentan-2-ol
CID 118731137
5-(3-Quinolylamino)pentan-2-ol
CID 118731142
5-(6-Quinolylamino)pentan-2-ol
CID 118731145
Isoquinoline-5,6-diamine
CID 15040652
US11535615, Example 7
CID 129244886

Frequently Asked Questions

What is the IUPAC name of 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol (CID 106141358) is 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1ccc2cnccc2c1N.
What is the InChIKey of 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is GCGUJHJJDZOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,7-3-9-20)11-19-14-5-4-12-10-18-8-6-13(12)15(14)17/h4-6,8,10,19-20H,3,7,9,11,17H2,1-2H3.
What are the key properties of 5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(5-aminoisoquinolin-6-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-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).