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

C9H17NO — CID 84716601

IUPAC5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCC1=CCCNC1
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyCVRPKUFZKSHGKF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

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

5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716601) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716601
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCC1=CCCNC1
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyCVRPKUFZKSHGKF-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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

2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
4-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404624
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
[(1R)-1-(1,2,3,6-tetrahydropyridin-5-yl)ethyl] acetate
CID 68026724
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
(2R)-2-(2-methylprop-1-enyl)morpholine
CID 130456716

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (CID 84716601) is 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is CC(C)OCC1=CCCNC1.
What is the InChIKey of 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is CVRPKUFZKSHGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10H,3,5-7H2,1-2H3.
What are the key properties of 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).