1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione

C17H30N2O4 — CID 122159129

IUPAC1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1(C)COCCN1C(=O)CCCC(=O)N1CCOCC1(C)C
InChIInChI=1S/C17H30N2O4/c1-16(2)12-22-10-8-18(16)14(20)6-5-7-15(21)19-9-11-23-13-17(19,3)4/h5-13H2,1-4H3
InChIKeyRIZCOVAVWKMZES-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.43
Rot. Bonds4

About 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione

1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione (PubChem CID 122159129) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione
PubChem CID122159129
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1(C)COCCN1C(=O)CCCC(=O)N1CCOCC1(C)C
InChIInChI=1S/C17H30N2O4/c1-16(2)12-22-10-8-18(16)14(20)6-5-7-15(21)19-9-11-23-13-17(19,3)4/h5-13H2,1-4H3
InChIKeyRIZCOVAVWKMZES-UHFFFAOYSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione (CID 122159129) is 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione is CC1(C)COCCN1C(=O)CCCC(=O)N1CCOCC1(C)C.
What is the InChIKey of 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione?
The InChIKey is RIZCOVAVWKMZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-16(2)12-22-10-8-18(16)14(20)6-5-7-15(21)19-9-11-23-13-17(19,3)4/h5-13H2,1-4H3.
What are the key properties of 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione?
1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione has a molecular weight of 326.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione is sourced from PubChem (CID 122159129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).