[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol

C12H26N3O5P — CID 22969304

IUPAC[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CNCC(COP(N)(=O)N2CC(C)OC(CO)C2)O1
InChIInChI=1S/C12H26N3O5P/c1-9-3-14-4-11(19-9)8-18-21(13,17)15-5-10(2)20-12(6-15)7-16/h9-12,14,16H,3-8H2,1-2H3,(H2,13,17)
InChIKeySLDTUVCZRMEQHE-UHFFFAOYSA-N
MW323.33 g/mol
LogP-0.47
Rot. Bonds5

About [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol

[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol (PubChem CID 22969304) has the molecular formula C12H26N3O5P and a molecular weight of 323.33 g/mol. Its IUPAC name is [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol
PubChem CID22969304
Molecular FormulaC12H26N3O5P
Molecular Weight323.33 g/mol
Exact Mass323.16
IUPAC Name[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CNCC(COP(N)(=O)N2CC(C)OC(CO)C2)O1
InChIInChI=1S/C12H26N3O5P/c1-9-3-14-4-11(19-9)8-18-21(13,17)15-5-10(2)20-12(6-15)7-16/h9-12,14,16H,3-8H2,1-2H3,(H2,13,17)
InChIKeySLDTUVCZRMEQHE-UHFFFAOYSA-N
XLogP-0.47
TPSA106.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol (CID 22969304) is [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol is CC1CNCC(COP(N)(=O)N2CC(C)OC(CO)C2)O1.
What is the InChIKey of [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is SLDTUVCZRMEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N3O5P/c1-9-3-14-4-11(19-9)8-18-21(13,17)15-5-10(2)20-12(6-15)7-16/h9-12,14,16H,3-8H2,1-2H3,(H2,13,17).
What are the key properties of [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol?
[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 323.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 22969304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).