3-methyl-1,2,3,4-tetrahydropyridine

C6H11N — CID 22630110

IUPAC3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=CNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyBTHXKVXQQOUHNQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds

About 3-methyl-1,2,3,4-tetrahydropyridine

3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 22630110) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID22630110
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=CNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyBTHXKVXQQOUHNQ-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydropyridine (CID 22630110) is 3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydropyridine is CC1CC=CNC1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is BTHXKVXQQOUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 3-methyl-1,2,3,4-tetrahydropyridine?
3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 22630110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).