2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine

C7H14N2 — CID 117125546

IUPAC2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine
SMILESNCCC1=CCCNC1
InChIInChI=1S/C7H14N2/c8-4-3-7-2-1-5-9-6-7/h2,9H,1,3-6,8H2
InChIKeyHCIHNOKQSOJDMF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.25
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine

2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine (PubChem CID 117125546) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine
PubChem CID117125546
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine
SMILESNCCC1=CCCNC1
InChIInChI=1S/C7H14N2/c8-4-3-7-2-1-5-9-6-7/h2,9H,1,3-6,8H2
InChIKeyHCIHNOKQSOJDMF-UHFFFAOYSA-N
XLogP0.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine (CID 117125546) is 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine is NCCC1=CCCNC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine?
The InChIKey is HCIHNOKQSOJDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-4-3-7-2-1-5-9-6-7/h2,9H,1,3-6,8H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine?
2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine has a molecular weight of 126.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-5-yl)ethanamine is sourced from PubChem (CID 117125546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).