2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol

C15H19N3O — CID 106948479

IUPAC2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
SMILESNc1c(N2CCC(CCO)C2)ccc2cnccc12
InChIInChI=1S/C15H19N3O/c16-15-13-3-6-17-9-12(13)1-2-14(15)18-7-4-11(10-18)5-8-19/h1-3,6,9,11,19H,4-5,7-8,10,16H2
InChIKeyMVAFKHMRVXACSP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds3

About 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol

2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol (PubChem CID 106948479) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
PubChem CID106948479
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
SMILESNc1c(N2CCC(CCO)C2)ccc2cnccc12
InChIInChI=1S/C15H19N3O/c16-15-13-3-6-17-9-12(13)1-2-14(15)18-7-4-11(10-18)5-8-19/h1-3,6,9,11,19H,4-5,7-8,10,16H2
InChIKeyMVAFKHMRVXACSP-UHFFFAOYSA-N
XLogP2.03
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799569
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
2-[1-(4-amino-2-iodophenyl)pyrrolidin-3-yl]ethanol
CID 114796849
6-(8-azaspiro[4.5]decan-8-yl)isoquinolin-5-amine
CID 106948060
6-(1,4-oxazepan-4-yl)isoquinolin-5-amine
CID 106948042
2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol
CID 103518567
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
CID 106947950
1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
CID 106948453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol (CID 106948479) is 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol is Nc1c(N2CCC(CCO)C2)ccc2cnccc12.
What is the InChIKey of 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is MVAFKHMRVXACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15-13-3-6-17-9-12(13)1-2-14(15)18-7-4-11(10-18)5-8-19/h1-3,6,9,11,19H,4-5,7-8,10,16H2.
What are the key properties of 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol?
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 257.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 106948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).