3,5,8,8a-tetrahydroquinolin-5-amine

C9H12N2 — CID 90810515

IUPAC3,5,8,8a-tetrahydroquinolin-5-amine
SMILESNC1C=CCC2N=CCC=C12
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-4,6,8-9H,2,5,10H2
InChIKeyWUQVTWQBZRLQAY-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.04
Rot. Bonds

About 3,5,8,8a-tetrahydroquinolin-5-amine

3,5,8,8a-tetrahydroquinolin-5-amine (PubChem CID 90810515) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,5,8,8a-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name3,5,8,8a-tetrahydroquinolin-5-amine
PubChem CID90810515
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,5,8,8a-tetrahydroquinolin-5-amine
SMILESNC1C=CCC2N=CCC=C12
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-4,6,8-9H,2,5,10H2
InChIKeyWUQVTWQBZRLQAY-UHFFFAOYSA-N
XLogP1.04
TPSA38.38 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,6,8a-Tetrahydroquinoline
CID 90716025
3,5,8,8a-Tetrahydroquinoline
CID 54491121
N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 56984696
3,5,8,8a-Tetrahydroquinolin-2-ylmethanamine
CID 57182520
6,7,8,8a-Tetrahydroquinolin-7-amine
CID 57218060
1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
1,2,3,4,6,8a-Hexahydro-1,7-naphthyridine
CID 68748788
1-Cyclohexa-1,3-dien-1-yl-2-iminoethanamine
CID 89154070
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,6,7,8,8a-Hexahydro-1,6-naphthyridine
CID 90721065
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865

Frequently Asked Questions

What is the IUPAC name of 3,5,8,8a-tetrahydroquinolin-5-amine?
The IUPAC name of 3,5,8,8a-tetrahydroquinolin-5-amine (CID 90810515) is 3,5,8,8a-tetrahydroquinolin-5-amine.
What is the SMILES notation for 3,5,8,8a-tetrahydroquinolin-5-amine?
The canonical SMILES for 3,5,8,8a-tetrahydroquinolin-5-amine is NC1C=CCC2N=CCC=C12.
What is the InChIKey of 3,5,8,8a-tetrahydroquinolin-5-amine?
The InChIKey is WUQVTWQBZRLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-4,6,8-9H,2,5,10H2.
What are the key properties of 3,5,8,8a-tetrahydroquinolin-5-amine?
3,5,8,8a-tetrahydroquinolin-5-amine has a molecular weight of 148.21 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,8a-tetrahydroquinolin-5-amine is sourced from PubChem (CID 90810515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).