1,2,3,6-tetrahydropyridin-2-amine

C5H10N2 — CID 5231366

IUPAC1,2,3,6-tetrahydropyridin-2-amine
SMILESNC1CC=CCN1
InChIInChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4,6H2
InChIKeyYFHSEQYKWWPDBS-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.18
Rot. Bonds

About 1,2,3,6-tetrahydropyridin-2-amine

1,2,3,6-tetrahydropyridin-2-amine (PubChem CID 5231366) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-2-amine
PubChem CID5231366
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1,2,3,6-tetrahydropyridin-2-amine
SMILESNC1CC=CCN1
InChIInChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4,6H2
InChIKeyYFHSEQYKWWPDBS-UHFFFAOYSA-N
XLogP-0.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydropyridine
CID 12750
1,2,3,6-Tetrahydropyridine hydrochloride
CID 16212870
1,2,3,6-Tetrahydropyridinium iodide
CID 129814662
2-Fluoro-1,2,3,6-tetrahydropyridine
CID 91289839
5-Fluoro-1,2,3,6-tetrahydropyridin-2-amine
CID 123335050
2,3,4,5,6-Pentadeutero-1,2,3,6-tetrahydropyridine
CID 129814182
1-Methyl-1,2,3,6-tetrahydropyridin-1-ium
CID 6994392
1,2,3,6-Tetrahydropyridin-1-ium
CID 23382766
2,3,4,5,6,9-hexahydro-1H-1,3-diazonine
CID 53786792
N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
CID 56614411
CID 57467138
CID 57467138
1-Methanidyl-1,2,3,6-tetrahydropyridin-1-ium
CID 57612076

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-2-amine?
The IUPAC name of 1,2,3,6-tetrahydropyridin-2-amine (CID 5231366) is 1,2,3,6-tetrahydropyridin-2-amine.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-2-amine?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-2-amine is NC1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-2-amine?
The InChIKey is YFHSEQYKWWPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4,6H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-2-amine?
1,2,3,6-tetrahydropyridin-2-amine has a molecular weight of 98.15 g/mol, XLogP of -0.18, 0 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-2-amine is sourced from PubChem (CID 5231366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).