1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine

C12H15N3O2 — CID 68614491

IUPAC1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine
SMILESCOc1cc2c(N)cnc(CN)c2cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-11-3-7-8(4-12(11)17-2)10(5-13)15-6-9(7)14/h3-4,6H,5,13-14H2,1-2H3
InChIKeyWSNDRDMQNSCBTD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.29
Rot. Bonds3

About 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine

1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine (PubChem CID 68614491) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine
PubChem CID68614491
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine
SMILESCOc1cc2c(N)cnc(CN)c2cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-11-3-7-8(4-12(11)17-2)10(5-13)15-6-9(7)14/h3-4,6H,5,13-14H2,1-2H3
InChIKeyWSNDRDMQNSCBTD-UHFFFAOYSA-N
XLogP1.29
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine?
The IUPAC name of 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine (CID 68614491) is 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine.
What is the SMILES notation for 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine?
The canonical SMILES for 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine is COc1cc2c(N)cnc(CN)c2cc1OC.
What is the InChIKey of 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine?
The InChIKey is WSNDRDMQNSCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-11-3-7-8(4-12(11)17-2)10(5-13)15-6-9(7)14/h3-4,6H,5,13-14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine?
1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-amine is sourced from PubChem (CID 68614491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).