6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine

C16H20N2O2 — CID 106539948

IUPAC6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
SMILESC=C(C)COCCNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)11-20-9-8-18-16-15-5-4-14(19-3)10-13(15)6-7-17-16/h4-7,10H,1,8-9,11H2,2-3H3,(H,17,18)
InChIKeyAQEUWIWOMBKYIX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.25
Rot. Bonds7

About 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine

6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine (PubChem CID 106539948) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
PubChem CID106539948
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
SMILESC=C(C)COCCNc1nccc2cc(OC)ccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)11-20-9-8-18-16-15-5-4-14(19-3)10-13(15)6-7-17-16/h4-7,10H,1,8-9,11H2,2-3H3,(H,17,18)
InChIKeyAQEUWIWOMBKYIX-UHFFFAOYSA-N
XLogP3.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
5-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106504298
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
CID 106539434

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine (CID 106539948) is 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine is C=C(C)COCCNc1nccc2cc(OC)ccc12.
What is the InChIKey of 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine?
The InChIKey is AQEUWIWOMBKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)11-20-9-8-18-16-15-5-4-14(19-3)10-13(15)6-7-17-16/h4-7,10H,1,8-9,11H2,2-3H3,(H,17,18).
What are the key properties of 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine?
6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine has a molecular weight of 272.35 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 106539948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).