1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol

C14H19N3O — CID 106543374

IUPAC1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
SMILESCCC(C)(CN)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C14H19N3O/c1-3-14(2,9-15)17-13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyLOMHJQNCJRAFRP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds4

About 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol

1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol (PubChem CID 106543374) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
PubChem CID106543374
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
SMILESCCC(C)(CN)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C14H19N3O/c1-3-14(2,9-15)17-13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyLOMHJQNCJRAFRP-UHFFFAOYSA-N
XLogP2.48
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543172
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
3-N-isoquinolin-1-yl-3-methylpentane-1,3-diamine
CID 106166124
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
1-(2,2-dimethylheptylamino)isoquinolin-7-ol
CID 106539127
1-[(4-hydroxy-2-methylbutyl)amino]isoquinolin-7-ol
CID 106538999
1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
CID 106543534
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 64550319
1-[(2-hydroxy-2,4-dimethylpentyl)amino]isoquinolin-7-ol
CID 106539005

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol (CID 106543374) is 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol is CCC(C)(CN)Nc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol?
The InChIKey is LOMHJQNCJRAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-14(2,9-15)17-13-12-8-11(18)5-4-10(12)6-7-16-13/h4-8,18H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol?
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol has a molecular weight of 245.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106543374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).