3-isoquinolin-7-ylpropan-1-amine

C12H14N2 — CID 82576497

IUPAC3-isoquinolin-7-ylpropan-1-amine
SMILESNCCCc1ccc2ccncc2c1
InChIInChI=1S/C12H14N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h3-5,7-9H,1-2,6,13H2
InChIKeyNAVDXTQYEAEBJE-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.13
Rot. Bonds3

About 3-isoquinolin-7-ylpropan-1-amine

3-isoquinolin-7-ylpropan-1-amine (PubChem CID 82576497) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-isoquinolin-7-ylpropan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-7-ylpropan-1-amine
PubChem CID82576497
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-isoquinolin-7-ylpropan-1-amine
SMILESNCCCc1ccc2ccncc2c1
InChIInChI=1S/C12H14N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h3-5,7-9H,1-2,6,13H2
InChIKeyNAVDXTQYEAEBJE-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-7-ylpropan-1-amine?
The IUPAC name of 3-isoquinolin-7-ylpropan-1-amine (CID 82576497) is 3-isoquinolin-7-ylpropan-1-amine.
What is the SMILES notation for 3-isoquinolin-7-ylpropan-1-amine?
The canonical SMILES for 3-isoquinolin-7-ylpropan-1-amine is NCCCc1ccc2ccncc2c1.
What is the InChIKey of 3-isoquinolin-7-ylpropan-1-amine?
The InChIKey is NAVDXTQYEAEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-6-1-2-10-3-4-11-5-7-14-9-12(11)8-10/h3-5,7-9H,1-2,6,13H2.
What are the key properties of 3-isoquinolin-7-ylpropan-1-amine?
3-isoquinolin-7-ylpropan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-7-ylpropan-1-amine is sourced from PubChem (CID 82576497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).