1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H22N4O — CID 106141945

IUPAC1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc(N)c2cnccc12
InChIInChI=1S/C15H22N4O/c1-15(20,10-19(2)3)9-18-14-5-4-13(16)12-8-17-7-6-11(12)14/h4-8,18,20H,9-10,16H2,1-3H3
InChIKeyHOBDOJNEDKNRTN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.54
Rot. Bonds5

About 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141945) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141945
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc(N)c2cnccc12
InChIInChI=1S/C15H22N4O/c1-15(20,10-19(2)3)9-18-14-5-4-13(16)12-8-17-7-6-11(12)14/h4-8,18,20H,9-10,16H2,1-3H3
InChIKeyHOBDOJNEDKNRTN-UHFFFAOYSA-N
XLogP1.54
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141945) is 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1ccc(N)c2cnccc12.
What is the InChIKey of 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is HOBDOJNEDKNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(20,10-19(2)3)9-18-14-5-4-13(16)12-8-17-7-6-11(12)14/h4-8,18,20H,9-10,16H2,1-3H3.
What are the key properties of 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).