2-butoxy-1,2,3,4-tetrahydropyridine

C9H17NO — CID 70438177

IUPAC2-butoxy-1,2,3,4-tetrahydropyridine
SMILESCCCCOC1CCC=CN1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyWQTWCXUBSVMNOQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.03
Rot. Bonds4

About 2-butoxy-1,2,3,4-tetrahydropyridine

2-butoxy-1,2,3,4-tetrahydropyridine (PubChem CID 70438177) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-butoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-butoxy-1,2,3,4-tetrahydropyridine
PubChem CID70438177
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-butoxy-1,2,3,4-tetrahydropyridine
SMILESCCCCOC1CCC=CN1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyWQTWCXUBSVMNOQ-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-butoxy-1,2,3,4-tetrahydropyridine (CID 70438177) is 2-butoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-butoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-butoxy-1,2,3,4-tetrahydropyridine is CCCCOC1CCC=CN1.
What is the InChIKey of 2-butoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is WQTWCXUBSVMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of 2-butoxy-1,2,3,4-tetrahydropyridine?
2-butoxy-1,2,3,4-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 70438177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).