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

C5H11N3 — CID 57030254

IUPAC(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine
SMILESNC1=NCCC[C@@H]1N
InChIInChI=1S/C5H11N3/c6-4-2-1-3-8-5(4)7/h4H,1-3,6H2,(H2,7,8)/t4-/m0/s1
InChIKeyMJOMPUQKUVEYMH-BYPYZUCNSA-N
MW113.16 g/mol
LogP-0.54
Rot. Bonds

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

(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine (PubChem CID 57030254) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine.

Molecular Properties

Compound Name(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine
PubChem CID57030254
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine
SMILESNC1=NCCC[C@@H]1N
InChIInChI=1S/C5H11N3/c6-4-2-1-3-8-5(4)7/h4H,1-3,6H2,(H2,7,8)/t4-/m0/s1
InChIKeyMJOMPUQKUVEYMH-BYPYZUCNSA-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

Analyze (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperidin-2-imine
CID 85237
2-Amino-3,4,5,6-tetrahydropyridine
CID 85236
6-Methyl-3,4,5,6-tetrahydropyridin-2-amine
CID 12778908
5-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochloride
CID 12778906
Hydron;2,3,4,5-tetrahydropyridin-6-amine;chloride
CID 74764638
5-Propyl-imidazolidin-2,4-diimin
CID 12745216
2,3,4,5-Tetrahydropyridin-1-ium-6-amine
CID 7003748
2-Methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 12778909
5-Amino-2-iminopiperidine hydrochloride
CID 18428459
3,4,5,6-Tetrahydropyridine-2,5-diamine
CID 18428460
6-Ethyl-3,4,5,6-tetrahydropyridin-2-amine
CID 18428518
4-Amino-2-iminopiperidine dihydrobromide
CID 18428539

Frequently Asked Questions

What is the IUPAC name of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine?
The IUPAC name of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine (CID 57030254) is (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine.
What is the SMILES notation for (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine?
The canonical SMILES for (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine is NC1=NCCC[C@@H]1N.
What is the InChIKey of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine?
The InChIKey is MJOMPUQKUVEYMH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N3/c6-4-2-1-3-8-5(4)7/h4H,1-3,6H2,(H2,7,8)/t4-/m0/s1.
What are the key properties of (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine?
(5S)-2,3,4,5-tetrahydropyridine-5,6-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 (5S)-2,3,4,5-tetrahydropyridine-5,6-diamine is sourced from PubChem (CID 57030254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).