4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

C10H17N — CID 68639752

IUPAC4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)CC1CC(C)=CCN1
InChIInChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3
InChIKeyKYKWKMGLAUVRBL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds2

About 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine

4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 68639752) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID68639752
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)CC1CC(C)=CCN1
InChIInChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3
InChIKeyKYKWKMGLAUVRBL-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
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 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 68639752) is 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is C=C(C)CC1CC(C)=CCN1.
What is the InChIKey of 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KYKWKMGLAUVRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)6-10-7-9(3)4-5-11-10/h4,10-11H,1,5-7H2,2-3H3.
What are the key properties of 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine?
4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 68639752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).