1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride

C10H16Cl2N2 — CID 43810457

IUPAC1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc2c1CCCN2
InChIInChI=1S/C10H14N2.2ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;;/h1,3,5,12H,2,4,6-7,11H2;2*1H
InChIKeyYIWBISSLFSBRJI-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.35
Rot. Bonds1

About 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride

1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride (PubChem CID 43810457) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
PubChem CID43810457
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc2c1CCCN2
InChIInChI=1S/C10H14N2.2ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;;/h1,3,5,12H,2,4,6-7,11H2;2*1H
InChIKeyYIWBISSLFSBRJI-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride 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-ylmethanamine;dihydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride (CID 43810457) is 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cccc2c1CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride?
The InChIKey is YIWBISSLFSBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c11-7-8-3-1-5-10-9(8)4-2-6-12-10;;/h1,3,5,12H,2,4,6-7,11H2;2*1H.
What are the key properties of 1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride?
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.35, 1 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-ylmethanamine;dihydrochloride is sourced from PubChem (CID 43810457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).