(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine

C10H19NO — CID 155217640

IUPAC(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC[C@H](C)[C@@H]1CC=CCN1C
InChIInChI=1S/C10H19NO/c1-9(8-12-3)10-6-4-5-7-11(10)2/h4-5,9-10H,6-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyBRMPKZRQNWZNDM-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.53
Rot. Bonds3

About (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine

(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 155217640) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID155217640
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC[C@H](C)[C@@H]1CC=CCN1C
InChIInChI=1S/C10H19NO/c1-9(8-12-3)10-6-4-5-7-11(10)2/h4-5,9-10H,6-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyBRMPKZRQNWZNDM-UWVGGRQHSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 155217640) is (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine is COC[C@H](C)[C@@H]1CC=CCN1C.
What is the InChIKey of (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is BRMPKZRQNWZNDM-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(8-12-3)10-6-4-5-7-11(10)2/h4-5,9-10H,6-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155217640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).