1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione

C19H34N2O4 — CID 136580800

IUPAC1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione
SMILESC[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1
InChIInChI=1S/C19H34N2O4/c1-13-9-20(10-14(2)24-13)17(22)7-8-19(5,6)18(23)21-11-15(3)25-16(4)12-21/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16+
InChIKeyIRXAVYHKXNZTLA-GEEKYZPCSA-N
MW354.49 g/mol
LogP2.06
Rot. Bonds4

About 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione

1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione (PubChem CID 136580800) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione
PubChem CID136580800
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione
SMILESC[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1
InChIInChI=1S/C19H34N2O4/c1-13-9-20(10-14(2)24-13)17(22)7-8-19(5,6)18(23)21-11-15(3)25-16(4)12-21/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16+
InChIKeyIRXAVYHKXNZTLA-GEEKYZPCSA-N
XLogP2.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione?
The IUPAC name of 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione (CID 136580800) is 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione.
What is the SMILES notation for 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione?
The canonical SMILES for 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione is C[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1.
What is the InChIKey of 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione?
The InChIKey is IRXAVYHKXNZTLA-GEEKYZPCSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-13-9-20(10-14(2)24-13)17(22)7-8-19(5,6)18(23)21-11-15(3)25-16(4)12-21/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16+.
What are the key properties of 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione?
1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione has a molecular weight of 354.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione is sourced from PubChem (CID 136580800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).