1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol

C14H19N3O — CID 106948429

IUPAC1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C14H19N3O/c1-2-3-11(18)9-17-13-5-4-10-8-16-7-6-12(10)14(13)15/h4-8,11,17-18H,2-3,9,15H2,1H3
InChIKeyBKPOUEOVQZLPBJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds5

About 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol

1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol (PubChem CID 106948429) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
PubChem CID106948429
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C14H19N3O/c1-2-3-11(18)9-17-13-5-4-10-8-16-7-6-12(10)14(13)15/h4-8,11,17-18H,2-3,9,15H2,1H3
InChIKeyBKPOUEOVQZLPBJ-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
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-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
CID 106948405
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
CID 106948362
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
6-N-(2,2-dimethylheptyl)isoquinoline-5,6-diamine
CID 106948270
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol (CID 106948429) is 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol is CCCC(O)CNc1ccc2cnccc2c1N.
What is the InChIKey of 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol?
The InChIKey is BKPOUEOVQZLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-11(18)9-17-13-5-4-10-8-16-7-6-12(10)14(13)15/h4-8,11,17-18H,2-3,9,15H2,1H3.
What are the key properties of 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol?
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol is sourced from PubChem (CID 106948429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).