3,4-dimethylmorpholine

C6H13NO — CID 19892454

IUPAC3,4-dimethylmorpholine
SMILESCC1COCCN1C
InChIInChI=1S/C6H13NO/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3
InChIKeyPLYTVAFAKDFFKM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.34
Rot. Bonds

About 3,4-dimethylmorpholine

3,4-dimethylmorpholine (PubChem CID 19892454) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3,4-dimethylmorpholine.

Molecular Properties

Compound Name3,4-dimethylmorpholine
PubChem CID19892454
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3,4-dimethylmorpholine
SMILESCC1COCCN1C
InChIInChI=1S/C6H13NO/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3
InChIKeyPLYTVAFAKDFFKM-UHFFFAOYSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylmorpholine?
The IUPAC name of 3,4-dimethylmorpholine (CID 19892454) is 3,4-dimethylmorpholine.
What is the SMILES notation for 3,4-dimethylmorpholine?
The canonical SMILES for 3,4-dimethylmorpholine is CC1COCCN1C.
What is the InChIKey of 3,4-dimethylmorpholine?
The InChIKey is PLYTVAFAKDFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethylmorpholine?
3,4-dimethylmorpholine has a molecular weight of 115.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylmorpholine is sourced from PubChem (CID 19892454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).