8,8a-dihydroisoquinolin-5-amine

C9H10N2 — CID 138600380

IUPAC8,8a-dihydroisoquinolin-5-amine
SMILESNC1=C2C=CN=CC2CC=C1
InChIInChI=1S/C9H10N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1,3-7H,2,10H2
InChIKeyYNCWEKJBSJUESZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.37
Rot. Bonds

About 8,8a-dihydroisoquinolin-5-amine

8,8a-dihydroisoquinolin-5-amine (PubChem CID 138600380) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 8,8a-dihydroisoquinolin-5-amine.

Molecular Properties

Compound Name8,8a-dihydroisoquinolin-5-amine
PubChem CID138600380
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name8,8a-dihydroisoquinolin-5-amine
SMILESNC1=C2C=CN=CC2CC=C1
InChIInChI=1S/C9H10N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1,3-7H,2,10H2
InChIKeyYNCWEKJBSJUESZ-UHFFFAOYSA-N
XLogP1.37
TPSA38.38 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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydroisoquinolin-5-amine?
The IUPAC name of 8,8a-dihydroisoquinolin-5-amine (CID 138600380) is 8,8a-dihydroisoquinolin-5-amine.
What is the SMILES notation for 8,8a-dihydroisoquinolin-5-amine?
The canonical SMILES for 8,8a-dihydroisoquinolin-5-amine is NC1=C2C=CN=CC2CC=C1.
What is the InChIKey of 8,8a-dihydroisoquinolin-5-amine?
The InChIKey is YNCWEKJBSJUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1,3-7H,2,10H2.
What are the key properties of 8,8a-dihydroisoquinolin-5-amine?
8,8a-dihydroisoquinolin-5-amine has a molecular weight of 146.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydroisoquinolin-5-amine is sourced from PubChem (CID 138600380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).