(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride

C5H13Cl2N3 — CID 67761739

IUPAC(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCCC[C@@H]1N
InChIInChI=1S/C5H11N3.2ClH/c6-4-2-1-3-8-5(4)7;;/h4H,1-3,6H2,(H2,7,8);2*1H/t4-;;/m0../s1
InChIKeyZRQGPOIIKSFLKP-FHNDMYTFSA-N
MW186.09 g/mol
LogP0.31
Rot. Bonds

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

(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride (PubChem CID 67761739) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride.

Molecular Properties

Compound Name(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride
PubChem CID67761739
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Name(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCCC[C@@H]1N
InChIInChI=1S/C5H11N3.2ClH/c6-4-2-1-3-8-5(4)7;;/h4H,1-3,6H2,(H2,7,8);2*1H/t4-;;/m0../s1
InChIKeyZRQGPOIIKSFLKP-FHNDMYTFSA-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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride?
The IUPAC name of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride (CID 67761739) is (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride.
What is the SMILES notation for (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride?
The canonical SMILES for (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride is Cl.Cl.NC1=NCCC[C@@H]1N.
What is the InChIKey of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride?
The InChIKey is ZRQGPOIIKSFLKP-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c6-4-2-1-3-8-5(4)7;;/h4H,1-3,6H2,(H2,7,8);2*1H/t4-;;/m0../s1.
What are the key properties of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride?
(5S)-2,3,4,5-tetrahydropyridine-5,6-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 (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine;dihydrochloride is sourced from PubChem (CID 67761739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).