5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine

C10H19NO — CID 84717347

IUPAC5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCC1=CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)12-7-5-10-4-3-6-11-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyIRYBMBIEQUWQGI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine

5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84717347) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84717347
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCC1=CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)12-7-5-10-4-3-6-11-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyIRYBMBIEQUWQGI-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Ethane;methoxyethane;4-methyl-1,2,3,6-tetrahydropyridine;hydrate
CID 164919352
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
5-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716251
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
5-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716600
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717346
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-(1-Ethoxypropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 103488712
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-propan-2-yloxybutan-1-amine
CID 104159004

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine (CID 84717347) is 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine is CC(C)OCCC1=CCCNC1.
What is the InChIKey of 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IRYBMBIEQUWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)12-7-5-10-4-3-6-11-8-10/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84717347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).