(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine

C12H23N — CID 10866958

IUPAC(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C[C@H]1C=CC[C@@H](C(C)C)N1
InChIInChI=1S/C12H23N/c1-9(2)8-11-6-5-7-12(13-11)10(3)4/h5-6,9-13H,7-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyMGPHSMMOXOQMHY-NEPJUHHUSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds3

About (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine

(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 10866958) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID10866958
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C[C@H]1C=CC[C@@H](C(C)C)N1
InChIInChI=1S/C12H23N/c1-9(2)8-11-6-5-7-12(13-11)10(3)4/h5-6,9-13H,7-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyMGPHSMMOXOQMHY-NEPJUHHUSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
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 (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 10866958) is (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine is CC(C)C[C@H]1C=CC[C@@H](C(C)C)N1.
What is the InChIKey of (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is MGPHSMMOXOQMHY-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-11-6-5-7-12(13-11)10(3)4/h5-6,9-13H,7-8H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).