4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine

C10H19NO — CID 84717346

IUPAC4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3,9,11H,4-8H2,1-2H3
InChIKeyCTADUFCEFUAQKI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine

4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84717346) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84717346
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3,9,11H,4-8H2,1-2H3
InChIKeyCTADUFCEFUAQKI-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

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
(3S,4E)-4-ethylidene-3-methyl-3-(propan-2-yloxymethyl)piperidine
CID 177009299
6-Methoxy-1,2,3,4,5,8-hexahydroisoquinoline
CID 66554168
4-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716250
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
5-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716600
5-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717347
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 106316705
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316821
N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
CID 106316859
N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114413221
N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 114413295

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine (CID 84717346) is 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine is CC(C)OCCC1=CCNCC1.
What is the InChIKey of 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is CTADUFCEFUAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3,9,11H,4-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine?
4-(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 4-(2-propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84717346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).