3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol

C16H22N2O2 — CID 106539125

IUPAC3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H22N2O2/c1-3-12(7-9-19)11-18-16-15-5-4-14(20-2)10-13(15)6-8-17-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3,(H,17,18)
InChIKeyZHSAZXYIUDIOJQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.06
Rot. Bonds7

About 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol

3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol (PubChem CID 106539125) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
PubChem CID106539125
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H22N2O2/c1-3-12(7-9-19)11-18-16-15-5-4-14(20-2)10-13(15)6-8-17-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3,(H,17,18)
InChIKeyZHSAZXYIUDIOJQ-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol with MolForge

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Related Compounds

N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
1-N-(6-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159174
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 107866247
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol (CID 106539125) is 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1nccc2cc(OC)ccc12.
What is the InChIKey of 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol?
The InChIKey is ZHSAZXYIUDIOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(7-9-19)11-18-16-15-5-4-14(20-2)10-13(15)6-8-17-16/h4-6,8,10,12,19H,3,7,9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol?
3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 106539125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).