1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol

C15H21N3O2 — CID 106250928

IUPAC1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(N)c2ccncc12
InChIInChI=1S/C15H21N3O2/c1-15(19,6-8-20-2)10-18-14-4-3-13(16)11-5-7-17-9-12(11)14/h3-5,7,9,18-19H,6,8,10,16H2,1-2H3
InChIKeySCOPQOKSLGFTEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds6

About 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106250928) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106250928
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(N)c2ccncc12
InChIInChI=1S/C15H21N3O2/c1-15(19,6-8-20-2)10-18-14-4-3-13(16)11-5-7-17-9-12(11)14/h3-5,7,9,18-19H,6,8,10,16H2,1-2H3
InChIKeySCOPQOKSLGFTEJ-UHFFFAOYSA-N
XLogP2.02
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

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Related Compounds

1-[(5-aminoisoquinolin-8-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243983
1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141945
8-N-(2,2-dimethylheptyl)isoquinoline-5,8-diamine
CID 103138755
3-[(5-aminoisoquinolin-8-yl)amino]-2,2-difluoropropan-1-ol
CID 106167568
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 114164064
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250587
1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150993
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
CID 103139301

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106250928) is 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ccc(N)c2ccncc12.
What is the InChIKey of 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is SCOPQOKSLGFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(19,6-8-20-2)10-18-14-4-3-13(16)11-5-7-17-9-12(11)14/h3-5,7,9,18-19H,6,8,10,16H2,1-2H3.
What are the key properties of 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106250928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).