4a,5-dihydroisoquinolin-7-amine

C9H10N2 — CID 148591095

IUPAC4a,5-dihydroisoquinolin-7-amine
SMILESNC1=CCC2C=CN=CC2=C1
InChIInChI=1S/C9H10N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h2-7H,1,10H2
InChIKeyNAQQPSVGGLWZID-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.37
Rot. Bonds

About 4a,5-dihydroisoquinolin-7-amine

4a,5-dihydroisoquinolin-7-amine (PubChem CID 148591095) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4a,5-dihydroisoquinolin-7-amine.

Molecular Properties

Compound Name4a,5-dihydroisoquinolin-7-amine
PubChem CID148591095
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4a,5-dihydroisoquinolin-7-amine
SMILESNC1=CCC2C=CN=CC2=C1
InChIInChI=1S/C9H10N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h2-7H,1,10H2
InChIKeyNAQQPSVGGLWZID-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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Related Compounds

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CID 89153783
4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153236521
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
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CID 121402448
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CID 89153959
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CID 89018036
4-[5-(4-aminocyclohexa-2,4-dien-1-yl)-1H-pyrrol-2-yl]aniline
CID 163686108
1,6,7,9b-tetrahydrodibenzofuran-3-amine
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5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 89073888
2,3,3a,4-tetrahydro-1,3-benzothiazole-2,6-diamine
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ethane;5-methylcyclohexa-1,5-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydroisoquinolin-7-amine?
The IUPAC name of 4a,5-dihydroisoquinolin-7-amine (CID 148591095) is 4a,5-dihydroisoquinolin-7-amine.
What is the SMILES notation for 4a,5-dihydroisoquinolin-7-amine?
The canonical SMILES for 4a,5-dihydroisoquinolin-7-amine is NC1=CCC2C=CN=CC2=C1.
What is the InChIKey of 4a,5-dihydroisoquinolin-7-amine?
The InChIKey is NAQQPSVGGLWZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h2-7H,1,10H2.
What are the key properties of 4a,5-dihydroisoquinolin-7-amine?
4a,5-dihydroisoquinolin-7-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 4a,5-dihydroisoquinolin-7-amine is sourced from PubChem (CID 148591095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).