isoquinolin-5-ylmethanamine

C10H10N2 — CID 12018696

IUPACisoquinolin-5-ylmethanamine
SMILESNCc1cccc2cnccc12
InChIInChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H,6,11H2
InChIKeyCBDCFKLGMRFTRX-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.69
Rot. Bonds1

About isoquinolin-5-ylmethanamine

isoquinolin-5-ylmethanamine (PubChem CID 12018696) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Nameisoquinolin-5-ylmethanamine
PubChem CID12018696
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Nameisoquinolin-5-ylmethanamine
SMILESNCc1cccc2cnccc12
InChIInChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H,6,11H2
InChIKeyCBDCFKLGMRFTRX-UHFFFAOYSA-N
XLogP1.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-ylmethanamine?
The IUPAC name of isoquinolin-5-ylmethanamine (CID 12018696) is isoquinolin-5-ylmethanamine.
What is the SMILES notation for isoquinolin-5-ylmethanamine?
The canonical SMILES for isoquinolin-5-ylmethanamine is NCc1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-ylmethanamine?
The InChIKey is CBDCFKLGMRFTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H,6,11H2.
What are the key properties of isoquinolin-5-ylmethanamine?
isoquinolin-5-ylmethanamine has a molecular weight of 158.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-ylmethanamine is sourced from PubChem (CID 12018696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).