1-(isoquinolin-5-ylmethylamino)pentan-2-ol

C15H20N2O — CID 113381728

IUPAC1-(isoquinolin-5-ylmethylamino)pentan-2-ol
SMILESCCCC(O)CNCc1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-2-4-14(18)11-17-10-13-6-3-5-12-9-16-8-7-15(12)13/h3,5-9,14,17-18H,2,4,10-11H2,1H3
InChIKeyIQKQELATQKKAAM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds6

About 1-(isoquinolin-5-ylmethylamino)pentan-2-ol

1-(isoquinolin-5-ylmethylamino)pentan-2-ol (PubChem CID 113381728) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(isoquinolin-5-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(isoquinolin-5-ylmethylamino)pentan-2-ol
PubChem CID113381728
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(isoquinolin-5-ylmethylamino)pentan-2-ol
SMILESCCCC(O)CNCc1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-2-4-14(18)11-17-10-13-6-3-5-12-9-16-8-7-15(12)13/h3,5-9,14,17-18H,2,4,10-11H2,1H3
InChIKeyIQKQELATQKKAAM-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
CID 106171853
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
2-butoxy-N-(isoquinolin-5-ylmethyl)ethanamine
CID 62824958
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498

Frequently Asked Questions

What is the IUPAC name of 1-(isoquinolin-5-ylmethylamino)pentan-2-ol?
The IUPAC name of 1-(isoquinolin-5-ylmethylamino)pentan-2-ol (CID 113381728) is 1-(isoquinolin-5-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 1-(isoquinolin-5-ylmethylamino)pentan-2-ol?
The canonical SMILES for 1-(isoquinolin-5-ylmethylamino)pentan-2-ol is CCCC(O)CNCc1cccc2cnccc12.
What is the InChIKey of 1-(isoquinolin-5-ylmethylamino)pentan-2-ol?
The InChIKey is IQKQELATQKKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-4-14(18)11-17-10-13-6-3-5-12-9-16-8-7-15(12)13/h3,5-9,14,17-18H,2,4,10-11H2,1H3.
What are the key properties of 1-(isoquinolin-5-ylmethylamino)pentan-2-ol?
1-(isoquinolin-5-ylmethylamino)pentan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(isoquinolin-5-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 113381728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).