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

C5H11N3 — CID 18428460

IUPAC2,3,4,5-tetrahydropyridine-3,6-diamine
SMILESNC1=NCC(N)CC1
InChIInChI=1S/C5H11N3/c6-4-1-2-5(7)8-3-4/h4H,1-3,6H2,(H2,7,8)
InChIKeySJRZOXSWWNGCHL-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.54
Rot. Bonds

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

2,3,4,5-tetrahydropyridine-3,6-diamine (PubChem CID 18428460) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3,6-diamine.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3,6-diamine
PubChem CID18428460
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2,3,4,5-tetrahydropyridine-3,6-diamine
SMILESNC1=NCC(N)CC1
InChIInChI=1S/C5H11N3/c6-4-1-2-5(7)8-3-4/h4H,1-3,6H2,(H2,7,8)
InChIKeySJRZOXSWWNGCHL-UHFFFAOYSA-N
XLogP-0.54
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.54
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?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3,6-diamine (CID 18428460) is 2,3,4,5-tetrahydropyridine-3,6-diamine.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3,6-diamine?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3,6-diamine is NC1=NCC(N)CC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3,6-diamine?
The InChIKey is SJRZOXSWWNGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-4-1-2-5(7)8-3-4/h4H,1-3,6H2,(H2,7,8).
What are the key properties of 2,3,4,5-tetrahydropyridine-3,6-diamine?
2,3,4,5-tetrahydropyridine-3,6-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.54, 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 is sourced from PubChem (CID 18428460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).