2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol

C15H19N3O — CID 103138099

IUPAC2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)c2cnccc12
InChIInChI=1S/C15H19N3O/c16-12-5-6-13(11-9-17-8-7-10(11)12)18-14-3-1-2-4-15(14)19/h5-9,14-15,18-19H,1-4,16H2
InChIKeyPJCPMTKHJAJTGX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds2

About 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol

2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol (PubChem CID 103138099) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol
PubChem CID103138099
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)c2cnccc12
InChIInChI=1S/C15H19N3O/c16-12-5-6-13(11-9-17-8-7-10(11)12)18-14-3-1-2-4-15(14)19/h5-9,14-15,18-19H,1-4,16H2
InChIKeyPJCPMTKHJAJTGX-UHFFFAOYSA-N
XLogP2.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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

[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 106358956
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
trans-(1S,2S)-2-[(8-nitroisoquinolin-5-yl)amino]cyclohexan-1-ol
CID 133495382
5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
CID 62397116
8-N-(3-methylcyclobutyl)isoquinoline-5,8-diamine
CID 103139155
8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
CID 103137655
5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810
8-N-(3-cyclopropylpropyl)isoquinoline-5,8-diamine
CID 103139301
8-N-(2,2-dicyclopropylethyl)isoquinoline-5,8-diamine
CID 103138557
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
2-N-(8-nitroisoquinolin-5-yl)cyclohexane-1,2-diamine
CID 61038249
5-N-(3-ethylcyclohexyl)isoquinoline-5,8-diamine
CID 64748413

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol (CID 103138099) is 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol is Nc1ccc(NC2CCCCC2O)c2cnccc12.
What is the InChIKey of 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol?
The InChIKey is PJCPMTKHJAJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-12-5-6-13(11-9-17-8-7-10(11)12)18-14-3-1-2-4-15(14)19/h5-9,14-15,18-19H,1-4,16H2.
What are the key properties of 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol?
2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-8-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103138099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).