5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine

C8H14N2 — CID 165451425

IUPAC5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine
SMILESC=CCC1=CC(N)CNC1
InChIInChI=1S/C8H14N2/c1-2-3-7-4-8(9)6-10-5-7/h2,4,8,10H,1,3,5-6,9H2
InChIKeyHUUTXGVNARYNNQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.42
Rot. Bonds2

About 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine

5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165451425) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165451425
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine
SMILESC=CCC1=CC(N)CNC1
InChIInChI=1S/C8H14N2/c1-2-3-7-4-8(9)6-10-5-7/h2,4,8,10H,1,3,5-6,9H2
InChIKeyHUUTXGVNARYNNQ-UHFFFAOYSA-N
XLogP0.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.42
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

5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
CID 165456524
5-(1,2-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165451525
5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165451589
(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine
CID 123606155
(1R,5R)-7-prop-2-enylbicyclo[3.3.1]non-6-en-3-one
CID 10631111
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 160834606
CID 173256635
CID 173256635
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
CID 13037858
3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine
CID 165451501
bis(4-prop-2-enylphenyl)iodanium
CID 87130865
2-(5-fluoro-2,5-dihydro-1H-pyrrol-3-yl)acetaldehyde
CID 163963136

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine (CID 165451425) is 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine is C=CCC1=CC(N)CNC1.
What is the InChIKey of 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is HUUTXGVNARYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-7-4-8(9)6-10-5-7/h2,4,8,10H,1,3,5-6,9H2.
What are the key properties of 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine?
5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 138.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165451425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).