1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol

C16H23N3O — CID 107150993

IUPAC1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ccc(N)c2ccncc12
InChIInChI=1S/C16H23N3O/c1-16(2,3)8-11(20)9-19-15-5-4-14(17)12-6-7-18-10-13(12)15/h4-7,10-11,19-20H,8-9,17H2,1-3H3
InChIKeyAMIVTSKCCQZOMT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds4

About 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol

1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107150993) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107150993
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ccc(N)c2ccncc12
InChIInChI=1S/C16H23N3O/c1-16(2,3)8-11(20)9-19-15-5-4-14(17)12-6-7-18-10-13(12)15/h4-7,10-11,19-20H,8-9,17H2,1-3H3
InChIKeyAMIVTSKCCQZOMT-UHFFFAOYSA-N
XLogP3.03
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
CID 103138557
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
4-[(8-aminoisoquinolin-5-yl)amino]-3-methylbutan-1-ol
CID 66089874
3-[(5-aminoisoquinolin-8-yl)amino]-2,2-difluoropropan-1-ol
CID 106167568
1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150973
1-[(5-aminoisoquinolin-8-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243983
8-N-(2-methylsulfanylethyl)isoquinoline-5,8-diamine
CID 103138347
2-[(5-aminoisoquinolin-8-yl)amino]-N-tert-butylpropanamide
CID 103139066
1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106250928
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
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]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol (CID 107150993) is 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1ccc(N)c2ccncc12.
What is the InChIKey of 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is AMIVTSKCCQZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)8-11(20)9-19-15-5-4-14(17)12-6-7-18-10-13(12)15/h4-7,10-11,19-20H,8-9,17H2,1-3H3.
What are the key properties of 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107150993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).