2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride

C5H13Cl2N3 — CID 70346933

IUPAC2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCC(N)CC1
InChIInChI=1S/C5H11N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H
InChIKeyUPCPOMLNVMQDRF-UHFFFAOYSA-N
MW186.09 g/mol
LogP0.31
Rot. Bonds

About 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride

2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride (PubChem CID 70346933) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride
PubChem CID70346933
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Name2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCC(N)CC1
InChIInChI=1S/C5H11N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H
InChIKeyUPCPOMLNVMQDRF-UHFFFAOYSA-N
XLogP0.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,4,5-tetrahydropyridine-3,6-diamine;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 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride (CID 70346933) is 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride is Cl.Cl.NC1=NCC(N)CC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride?
The InChIKey is UPCPOMLNVMQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H.
What are the key properties of 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride?
2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride has a molecular weight of 186.09 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-3,6-diamine;dihydrochloride is sourced from PubChem (CID 70346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).