2-(butoxymethyl)oxan-4-imine

C10H19NO2 — CID 126598930

IUPAC2-(butoxymethyl)oxan-4-imine
SMILES[H]/N=C1\CCOC(COCCCC)C1
InChIInChI=1S/C10H19NO2/c1-2-3-5-12-8-10-7-9(11)4-6-13-10/h10-11H,2-8H2,1H3/b11-9+
InChIKeyTVTLMJVJHCUODQ-PKNBQFBNSA-N
MW185.27 g/mol
LogP2.00
Rot. Bonds5

About 2-(butoxymethyl)oxan-4-imine

2-(butoxymethyl)oxan-4-imine (PubChem CID 126598930) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(butoxymethyl)oxan-4-imine.

Molecular Properties

Compound Name2-(butoxymethyl)oxan-4-imine
PubChem CID126598930
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(butoxymethyl)oxan-4-imine
SMILES[H]/N=C1\CCOC(COCCCC)C1
InChIInChI=1S/C10H19NO2/c1-2-3-5-12-8-10-7-9(11)4-6-13-10/h10-11H,2-8H2,1H3/b11-9+
InChIKeyTVTLMJVJHCUODQ-PKNBQFBNSA-N
XLogP2.00
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxan-4-imine?
The IUPAC name of 2-(butoxymethyl)oxan-4-imine (CID 126598930) is 2-(butoxymethyl)oxan-4-imine.
What is the SMILES notation for 2-(butoxymethyl)oxan-4-imine?
The canonical SMILES for 2-(butoxymethyl)oxan-4-imine is [H]/N=C1\CCOC(COCCCC)C1.
What is the InChIKey of 2-(butoxymethyl)oxan-4-imine?
The InChIKey is TVTLMJVJHCUODQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-5-12-8-10-7-9(11)4-6-13-10/h10-11H,2-8H2,1H3/b11-9+.
What are the key properties of 2-(butoxymethyl)oxan-4-imine?
2-(butoxymethyl)oxan-4-imine has a molecular weight of 185.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)oxan-4-imine is sourced from PubChem (CID 126598930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).