4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine

C13H23N — CID 167073827

IUPAC4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine
SMILESC=C(C)C1=NCC(CC(C)C)C(C)C1
InChIInChI=1S/C13H23N/c1-9(2)6-12-8-14-13(10(3)4)7-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3
InChIKeyUWVVVOHAYABWJF-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds3

About 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine

4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 167073827) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID167073827
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine
SMILESC=C(C)C1=NCC(CC(C)C)C(C)C1
InChIInChI=1S/C13H23N/c1-9(2)6-12-8-14-13(10(3)4)7-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3
InChIKeyUWVVVOHAYABWJF-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine (CID 167073827) is 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine is C=C(C)C1=NCC(CC(C)C)C(C)C1.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is UWVVVOHAYABWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)6-12-8-14-13(10(3)4)7-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine?
4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-6-prop-1-en-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 167073827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).