3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine

C15H20N2O — CID 82576978

IUPAC3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
SMILESCOc1cccc2c(CC(C)(C)CN)nccc12
InChIInChI=1S/C15H20N2O/c1-15(2,10-16)9-13-11-5-4-6-14(18-3)12(11)7-8-17-13/h4-8H,9-10,16H2,1-3H3
InChIKeyFEYZPJPOLBPQKV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.77
Rot. Bonds4

About 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine

3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82576978) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
PubChem CID82576978
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine
SMILESCOc1cccc2c(CC(C)(C)CN)nccc12
InChIInChI=1S/C15H20N2O/c1-15(2,10-16)9-13-11-5-4-6-14(18-3)12(11)7-8-17-13/h4-8H,9-10,16H2,1-3H3
InChIKeyFEYZPJPOLBPQKV-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine (CID 82576978) is 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine is COc1cccc2c(CC(C)(C)CN)nccc12.
What is the InChIKey of 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is FEYZPJPOLBPQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,10-16)9-13-11-5-4-6-14(18-3)12(11)7-8-17-13/h4-8H,9-10,16H2,1-3H3.
What are the key properties of 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine?
3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyisoquinolin-1-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82576978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).