N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine

C16H35IN4O6P2 — CID 145409800

IUPACN-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine
SMILESCC1CNCC(COP(=O)(N(C)C)N2CC(I)OC(COP(C)(=O)N(C)C)C2)O1
InChIInChI=1S/C16H35IN4O6P2/c1-13-7-18-8-14(26-13)11-25-29(23,20(4)5)21-9-15(27-16(17)10-21)12-24-28(6,22)19(2)3/h13-16,18H,7-12H2,1-6H3
InChIKeyZTEUHUYWUNSODR-UHFFFAOYSA-N
MW568.33 g/mol
LogP1.91
Rot. Bonds9

About N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine

N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine (PubChem CID 145409800) has the molecular formula C16H35IN4O6P2 and a molecular weight of 568.33 g/mol. Its IUPAC name is N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine
PubChem CID145409800
Molecular FormulaC16H35IN4O6P2
Molecular Weight568.33 g/mol
Exact Mass568.11
IUPAC NameN-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine
SMILESCC1CNCC(COP(=O)(N(C)C)N2CC(I)OC(COP(C)(=O)N(C)C)C2)O1
InChIInChI=1S/C16H35IN4O6P2/c1-13-7-18-8-14(26-13)11-25-29(23,20(4)5)21-9-15(27-16(17)10-21)12-24-28(6,22)19(2)3/h13-16,18H,7-12H2,1-6H3
InChIKeyZTEUHUYWUNSODR-UHFFFAOYSA-N
XLogP1.91
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine?
The IUPAC name of N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine (CID 145409800) is N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine is CC1CNCC(COP(=O)(N(C)C)N2CC(I)OC(COP(C)(=O)N(C)C)C2)O1.
What is the InChIKey of N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine?
The InChIKey is ZTEUHUYWUNSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35IN4O6P2/c1-13-7-18-8-14(26-13)11-25-29(23,20(4)5)21-9-15(27-16(17)10-21)12-24-28(6,22)19(2)3/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine?
N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine has a molecular weight of 568.33 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-iodomorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine is sourced from PubChem (CID 145409800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).