[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol

C15H19N3O — CID 62523969

IUPAC[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
SMILESNc1ccc(NC2(CO)CCCC2)c2ccncc12
InChIInChI=1S/C15H19N3O/c16-13-3-4-14(11-5-8-17-9-12(11)13)18-15(10-19)6-1-2-7-15/h3-5,8-9,18-19H,1-2,6-7,10,16H2
InChIKeyIWOYKXSNEVQOTA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds3

About [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol

[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol (PubChem CID 62523969) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
PubChem CID62523969
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
SMILESNc1ccc(NC2(CO)CCCC2)c2ccncc12
InChIInChI=1S/C15H19N3O/c16-13-3-4-14(11-5-8-17-9-12(11)13)18-15(10-19)6-1-2-7-15/h3-5,8-9,18-19H,1-2,6-7,10,16H2
InChIKeyIWOYKXSNEVQOTA-UHFFFAOYSA-N
XLogP2.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.53
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

3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813
[1-[(5-nitroisoquinolin-8-yl)amino]cyclopropyl]methanol
CID 103141941
[1-[(8-aminoquinolin-4-yl)amino]cyclopentyl]methanol
CID 83060230
8-N-[(1-methylcyclopentyl)methyl]isoquinoline-5,8-diamine
CID 103138316
5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
[1-[(5-amino-1H-pyrazol-4-yl)amino]cyclopentyl]methanol
CID 82237657
[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 106358956
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
[1-(3-amino-2-methylanilino)cyclopentyl]methanol
CID 63062925

Frequently Asked Questions

What is the IUPAC name of [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol (CID 62523969) is [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol is Nc1ccc(NC2(CO)CCCC2)c2ccncc12.
What is the InChIKey of [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The InChIKey is IWOYKXSNEVQOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-3-4-14(11-5-8-17-9-12(11)13)18-15(10-19)6-1-2-7-15/h3-5,8-9,18-19H,1-2,6-7,10,16H2.
What are the key properties of [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 62523969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).