2-butoxy-2,3,4,5-tetrahydropyridine

C9H17NO — CID 70438176

IUPAC2-butoxy-2,3,4,5-tetrahydropyridine
SMILESCCCCOC1CCCC=N1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h7,9H,2-6,8H2,1H3
InChIKeySNMVMYVNSZZJSE-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.38
Rot. Bonds4

About 2-butoxy-2,3,4,5-tetrahydropyridine

2-butoxy-2,3,4,5-tetrahydropyridine (PubChem CID 70438176) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-butoxy-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-butoxy-2,3,4,5-tetrahydropyridine
PubChem CID70438176
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-butoxy-2,3,4,5-tetrahydropyridine
SMILESCCCCOC1CCCC=N1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h7,9H,2-6,8H2,1H3
InChIKeySNMVMYVNSZZJSE-UHFFFAOYSA-N
XLogP2.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-2,3,4,5-tetrahydropyridine
CID 20695402
N-methylethanimine;oxane
CID 68775785
N-ethyl-3-hexoxypropan-1-imine
CID 87877005
N-(5-methoxypentyl)ethanimine
CID 89373982
ethane;N-(oxan-2-yl)methanimine
CID 91170532
N-(6-methoxyhexyl)butan-1-imine
CID 123891261
2-Ethoxy-2,3,4,5-tetrahydropyridine
CID 152413594

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-butoxy-2,3,4,5-tetrahydropyridine (CID 70438176) is 2-butoxy-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-butoxy-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-butoxy-2,3,4,5-tetrahydropyridine is CCCCOC1CCCC=N1.
What is the InChIKey of 2-butoxy-2,3,4,5-tetrahydropyridine?
The InChIKey is SNMVMYVNSZZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-8-11-9-6-4-5-7-10-9/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-butoxy-2,3,4,5-tetrahydropyridine?
2-butoxy-2,3,4,5-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 70438176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).