(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine

C9H17N — CID 15341439

IUPAC(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine
SMILESCCC[C@H]1CC=C[C@H](C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h4,6,8-10H,3,5,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQXRKLWVVMHCABX-IUCAKERBSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine

(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine (PubChem CID 15341439) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine
PubChem CID15341439
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine
SMILESCCC[C@H]1CC=C[C@H](C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h4,6,8-10H,3,5,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQXRKLWVVMHCABX-IUCAKERBSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
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-methyl-2-propyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine (CID 15341439) is (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine is CCC[C@H]1CC=C[C@H](C)N1.
What is the InChIKey of (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine?
The InChIKey is QXRKLWVVMHCABX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h4,6,8-10H,3,5,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine?
(2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-methyl-2-propyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 15341439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).