[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol

C15H19N3O — CID 106358956

IUPAC[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c2ccncc12
InChIInChI=1S/C15H19N3O/c16-13-4-5-15(11-6-7-17-8-12(11)13)18-14-3-1-2-10(14)9-19/h4-8,10,14,18-19H,1-3,9,16H2
InChIKeyDEFPHXABSNIPCG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds3

About [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol

[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol (PubChem CID 106358956) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
PubChem CID106358956
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c2ccncc12
InChIInChI=1S/C15H19N3O/c16-13-4-5-15(11-6-7-17-8-12(11)13)18-14-3-1-2-10(14)9-19/h4-8,10,14,18-19H,1-3,9,16H2
InChIKeyDEFPHXABSNIPCG-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol
CID 103138099
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
CID 62397116
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
CID 106359109
5-N-(3-ethylcyclohexyl)isoquinoline-5,8-diamine
CID 64748413
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
CID 106358958
[2-[(8-aminoquinolin-4-yl)amino]cyclohexyl]methanol
CID 106359240
5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 62523969
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
[2-[(5-amino-3-pyridinyl)amino]cyclopentyl]methanol
CID 106368070

Frequently Asked Questions

What is the IUPAC name of [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol (CID 106358956) is [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol is Nc1ccc(NC2CCCC2CO)c2ccncc12.
What is the InChIKey of [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
The InChIKey is DEFPHXABSNIPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-4-5-15(11-6-7-17-8-12(11)13)18-14-3-1-2-10(14)9-19/h4-8,10,14,18-19H,1-3,9,16H2.
What are the key properties of [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol?
[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).