2,2-dibutylmorpholine

C12H25NO — CID 19604010

IUPAC2,2-dibutylmorpholine
SMILESCCCCC1(CCCC)CNCCO1
InChIInChI=1S/C12H25NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h13H,3-11H2,1-2H3
InChIKeyCXAMIBZRTIZSAV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds6

About 2,2-dibutylmorpholine

2,2-dibutylmorpholine (PubChem CID 19604010) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-dibutylmorpholine.

Molecular Properties

Compound Name2,2-dibutylmorpholine
PubChem CID19604010
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-dibutylmorpholine
SMILESCCCCC1(CCCC)CNCCO1
InChIInChI=1S/C12H25NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h13H,3-11H2,1-2H3
InChIKeyCXAMIBZRTIZSAV-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutylmorpholine?
The IUPAC name of 2,2-dibutylmorpholine (CID 19604010) is 2,2-dibutylmorpholine.
What is the SMILES notation for 2,2-dibutylmorpholine?
The canonical SMILES for 2,2-dibutylmorpholine is CCCCC1(CCCC)CNCCO1.
What is the InChIKey of 2,2-dibutylmorpholine?
The InChIKey is CXAMIBZRTIZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h13H,3-11H2,1-2H3.
What are the key properties of 2,2-dibutylmorpholine?
2,2-dibutylmorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutylmorpholine is sourced from PubChem (CID 19604010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).