1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride

C6H14Cl2N2 — CID 89303161

IUPAC1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1=CCNCC1
InChIInChI=1S/C6H12N2.2ClH/c7-5-6-1-3-8-4-2-6;;/h1,8H,2-5,7H2;2*1H
InChIKeyMCJNKPSMXDGQBO-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.71
Rot. Bonds1

About 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride

1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride (PubChem CID 89303161) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride
PubChem CID89303161
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1=CCNCC1
InChIInChI=1S/C6H12N2.2ClH/c7-5-6-1-3-8-4-2-6;;/h1,8H,2-5,7H2;2*1H
InChIKeyMCJNKPSMXDGQBO-UHFFFAOYSA-N
XLogP0.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride?
The IUPAC name of 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride (CID 89303161) is 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride is Cl.Cl.NCC1=CCNCC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride?
The InChIKey is MCJNKPSMXDGQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c7-5-6-1-3-8-4-2-6;;/h1,8H,2-5,7H2;2*1H.
What are the key properties of 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride?
1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 89303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).