N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine

C16H22N2O — CID 106539875

IUPACN-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
SMILESCCC(CC)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)11-18-16-15-7-6-14(19-3)10-13(15)8-9-17-16/h6-10,12H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyKHCHDBKUVGTQNY-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.09
Rot. Bonds6

About N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine

N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine (PubChem CID 106539875) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
PubChem CID106539875
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
SMILESCCC(CC)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)11-18-16-15-7-6-14(19-3)10-13(15)8-9-17-16/h6-10,12H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyKHCHDBKUVGTQNY-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
CID 106539125
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
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
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine?
The IUPAC name of N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine (CID 106539875) is N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine is CCC(CC)CNc1nccc2cc(OC)ccc12.
What is the InChIKey of N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine?
The InChIKey is KHCHDBKUVGTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(5-2)11-18-16-15-7-6-14(19-3)10-13(15)8-9-17-16/h6-10,12H,4-5,11H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine?
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine has a molecular weight of 258.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106539875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).