6,7-dihydroisoquinolin-1-amine

C9H10N2 — CID 90254144

IUPAC6,7-dihydroisoquinolin-1-amine
SMILESNc1nccc2c1=CCCC=2
InChIInChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h3-6H,1-2H2,(H2,10,11)
InChIKeyMFYYVOXVPRKEMT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.02
Rot. Bonds

About 6,7-dihydroisoquinolin-1-amine

6,7-dihydroisoquinolin-1-amine (PubChem CID 90254144) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6,7-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dihydroisoquinolin-1-amine
PubChem CID90254144
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name6,7-dihydroisoquinolin-1-amine
SMILESNc1nccc2c1=CCCC=2
InChIInChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h3-6H,1-2H2,(H2,10,11)
InChIKeyMFYYVOXVPRKEMT-UHFFFAOYSA-N
XLogP0.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroisoquinolin-1-amine?
The IUPAC name of 6,7-dihydroisoquinolin-1-amine (CID 90254144) is 6,7-dihydroisoquinolin-1-amine.
What is the SMILES notation for 6,7-dihydroisoquinolin-1-amine?
The canonical SMILES for 6,7-dihydroisoquinolin-1-amine is Nc1nccc2c1=CCCC=2.
What is the InChIKey of 6,7-dihydroisoquinolin-1-amine?
The InChIKey is MFYYVOXVPRKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h3-6H,1-2H2,(H2,10,11).
What are the key properties of 6,7-dihydroisoquinolin-1-amine?
6,7-dihydroisoquinolin-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroisoquinolin-1-amine is sourced from PubChem (CID 90254144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).