2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

C13H21N — CID 3123936

IUPAC2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)CC1C=CCC(CC(=C)C)N1
InChIInChI=1S/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3
InChIKeyIPEKJIHMWYWWCB-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.21
Rot. Bonds4

About 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 3123936) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID3123936
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)CC1C=CCC(CC(=C)C)N1
InChIInChI=1S/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3
InChIKeyIPEKJIHMWYWWCB-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 3123936) is 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is C=C(C)CC1C=CCC(CC(=C)C)N1.
What is the InChIKey of 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IPEKJIHMWYWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3.
What are the key properties of 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 191.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 3123936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).