(2S)-2-methyl-2,3,4,5-tetrahydropyridine

C6H11N — CID 154517847

IUPAC(2S)-2-methyl-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCCC=N1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyBSZVPJHITLJKNA-LURJTMIESA-N
MW97.16 g/mol
LogP1.63
Rot. Bonds

About (2S)-2-methyl-2,3,4,5-tetrahydropyridine

(2S)-2-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 154517847) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2S)-2-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(2S)-2-methyl-2,3,4,5-tetrahydropyridine
PubChem CID154517847
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2S)-2-methyl-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCCC=N1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyBSZVPJHITLJKNA-LURJTMIESA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (2S)-2-methyl-2,3,4,5-tetrahydropyridine (CID 154517847) is (2S)-2-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (2S)-2-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (2S)-2-methyl-2,3,4,5-tetrahydropyridine is C[C@H]1CCCC=N1.
What is the InChIKey of (2S)-2-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is BSZVPJHITLJKNA-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3,4,5-tetrahydropyridine?
(2S)-2-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 154517847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).