1,2,3,4-tetrahydroquinolin-5-amine

C9H12N2 — CID 20633072

IUPAC1,2,3,4-tetrahydroquinolin-5-amine
SMILESNc1cccc2c1CCCN2
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6,10H2
InChIKeyWOHCILOGDCVXRE-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds

About 1,2,3,4-tetrahydroquinolin-5-amine

1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 20633072) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID20633072
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,2,3,4-tetrahydroquinolin-5-amine
SMILESNc1cccc2c1CCCN2
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6,10H2
InChIKeyWOHCILOGDCVXRE-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetrahydroquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-5-amine (CID 20633072) is 1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-5-amine is Nc1cccc2c1CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is WOHCILOGDCVXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6,10H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-5-amine?
1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 20633072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).