(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

C11H17N — CID 1380952

IUPAC(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@@H]1CC=C[C@H](CC=C)N1
InChIInChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2/t10-,11+/m0/s1
InChIKeyGAYQJEALDMVJON-WDEREUQCSA-N
MW163.26 g/mol
LogP2.43
Rot. Bonds4

About (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 1380952) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID1380952
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@@H]1CC=C[C@H](CC=C)N1
InChIInChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2/t10-,11+/m0/s1
InChIKeyGAYQJEALDMVJON-WDEREUQCSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine 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

1,2,3,6-Tetrahydropyridine
CID 12750
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
2-Methyl-6-prop-1-enylpiperidine
CID 580067
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1-dimethyl-
CID 6435019
2-((Z)-Prop-1-enyl)piperidine
CID 11051649
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
CID 5320605
2-Allyl-3-pyrroline
CID 14958845
6-Hexyl-1,2,3,6-tetrahydropyridine
CID 357837

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 1380952) is (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is C=CC[C@@H]1CC=C[C@H](CC=C)N1.
What is the InChIKey of (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is GAYQJEALDMVJON-WDEREUQCSA-N. The full InChI is InChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2/t10-,11+/m0/s1.
What are the key properties of (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 1380952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).