[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone

C15H27NO4 — CID 136535033

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CC(C)OC(CO)C2)CCO1
InChIInChI=1S/C15H27NO4/c1-3-4-13-7-12(5-6-19-13)15(18)16-8-11(2)20-14(9-16)10-17/h11-14,17H,3-10H2,1-2H3
InChIKeyGDHROFPMQMKKCE-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.19
Rot. Bonds4

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone (PubChem CID 136535033) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone
PubChem CID136535033
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone
SMILESCCCC1CC(C(=O)N2CC(C)OC(CO)C2)CCO1
InChIInChI=1S/C15H27NO4/c1-3-4-13-7-12(5-6-19-13)15(18)16-8-11(2)20-14(9-16)10-17/h11-14,17H,3-10H2,1-2H3
InChIKeyGDHROFPMQMKKCE-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone (CID 136535033) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone is CCCC1CC(C(=O)N2CC(C)OC(CO)C2)CCO1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone?
The InChIKey is GDHROFPMQMKKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-4-13-7-12(5-6-19-13)15(18)16-8-11(2)20-14(9-16)10-17/h11-14,17H,3-10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone has a molecular weight of 285.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-propyloxan-4-yl)methanone is sourced from PubChem (CID 136535033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).