2-[2-(butan-2-yloxymethyl)butyl]morpholine

C13H27NO2 — CID 146536267

IUPAC2-[2-(butan-2-yloxymethyl)butyl]morpholine
SMILESCCC(COC(C)CC)CC1CNCCO1
InChIInChI=1S/C13H27NO2/c1-4-11(3)16-10-12(5-2)8-13-9-14-6-7-15-13/h11-14H,4-10H2,1-3H3
InChIKeyHHNAIPYCAZMZMM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 2-[2-(butan-2-yloxymethyl)butyl]morpholine

2-[2-(butan-2-yloxymethyl)butyl]morpholine (PubChem CID 146536267) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[2-(butan-2-yloxymethyl)butyl]morpholine.

Molecular Properties

Compound Name2-[2-(butan-2-yloxymethyl)butyl]morpholine
PubChem CID146536267
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[2-(butan-2-yloxymethyl)butyl]morpholine
SMILESCCC(COC(C)CC)CC1CNCCO1
InChIInChI=1S/C13H27NO2/c1-4-11(3)16-10-12(5-2)8-13-9-14-6-7-15-13/h11-14H,4-10H2,1-3H3
InChIKeyHHNAIPYCAZMZMM-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(butan-2-yloxymethyl)butyl]morpholine?
The IUPAC name of 2-[2-(butan-2-yloxymethyl)butyl]morpholine (CID 146536267) is 2-[2-(butan-2-yloxymethyl)butyl]morpholine.
What is the SMILES notation for 2-[2-(butan-2-yloxymethyl)butyl]morpholine?
The canonical SMILES for 2-[2-(butan-2-yloxymethyl)butyl]morpholine is CCC(COC(C)CC)CC1CNCCO1.
What is the InChIKey of 2-[2-(butan-2-yloxymethyl)butyl]morpholine?
The InChIKey is HHNAIPYCAZMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-11(3)16-10-12(5-2)8-13-9-14-6-7-15-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[2-(butan-2-yloxymethyl)butyl]morpholine?
2-[2-(butan-2-yloxymethyl)butyl]morpholine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butan-2-yloxymethyl)butyl]morpholine is sourced from PubChem (CID 146536267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).