5,6,7,8-tetrahydroisoquinolin-3-amine

C9H12N2 — CID 13302397

IUPAC5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESNc1cc2c(cn1)CCCC2
InChIInChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11)
InChIKeyPQJSKRANCYSNLG-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.54
Rot. Bonds

About 5,6,7,8-tetrahydroisoquinolin-3-amine

5,6,7,8-tetrahydroisoquinolin-3-amine (PubChem CID 13302397) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroisoquinolin-3-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroisoquinolin-3-amine
PubChem CID13302397
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESNc1cc2c(cn1)CCCC2
InChIInChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11)
InChIKeyPQJSKRANCYSNLG-UHFFFAOYSA-N
XLogP1.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroisoquinolin-3-amine?
The IUPAC name of 5,6,7,8-tetrahydroisoquinolin-3-amine (CID 13302397) is 5,6,7,8-tetrahydroisoquinolin-3-amine.
What is the SMILES notation for 5,6,7,8-tetrahydroisoquinolin-3-amine?
The canonical SMILES for 5,6,7,8-tetrahydroisoquinolin-3-amine is Nc1cc2c(cn1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroisoquinolin-3-amine?
The InChIKey is PQJSKRANCYSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11).
What are the key properties of 5,6,7,8-tetrahydroisoquinolin-3-amine?
5,6,7,8-tetrahydroisoquinolin-3-amine has a molecular weight of 148.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroisoquinolin-3-amine is sourced from PubChem (CID 13302397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).