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

C5H12ClN3 — CID 18428459

IUPAC2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride
SMILESCl.NC1=NCC(N)CC1
InChIInChI=1S/C5H11N3.ClH/c6-4-1-2-5(7)8-3-4;/h4H,1-3,6H2,(H2,7,8);1H
InChIKeyLTKBUZBNIMUHMK-UHFFFAOYSA-N
MW149.62 g/mol
LogP-0.11
Rot. Bonds

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

2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride (PubChem CID 18428459) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride
PubChem CID18428459
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride
SMILESCl.NC1=NCC(N)CC1
InChIInChI=1S/C5H11N3.ClH/c6-4-1-2-5(7)8-3-4;/h4H,1-3,6H2,(H2,7,8);1H
InChIKeyLTKBUZBNIMUHMK-UHFFFAOYSA-N
XLogP-0.11
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride (CID 18428459) is 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride is Cl.NC1=NCC(N)CC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride?
The InChIKey is LTKBUZBNIMUHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c6-4-1-2-5(7)8-3-4;/h4H,1-3,6H2,(H2,7,8);1H.
What are the key properties of 2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride?
2,3,4,5-tetrahydropyridine-3,6-diamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of -0.11, 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;hydrochloride is sourced from PubChem (CID 18428459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).