N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine

C16H34N3O5P — CID 59042019

IUPACN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
SMILESCOCC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C16H34N3O5P/c1-13-7-18(5)9-15(23-13)12-22-25(20,17(3)4)19-8-14(2)24-16(10-19)11-21-6/h13-16H,7-12H2,1-6H3
InChIKeyOXQBXJNAIKPNCZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.13
Rot. Bonds7

About N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine

N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine (PubChem CID 59042019) has the molecular formula C16H34N3O5P and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
PubChem CID59042019
Molecular FormulaC16H34N3O5P
Molecular Weight379.44 g/mol
Exact Mass379.22
IUPAC NameN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine
SMILESCOCC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C16H34N3O5P/c1-13-7-18(5)9-15(23-13)12-22-25(20,17(3)4)19-8-14(2)24-16(10-19)11-21-6/h13-16H,7-12H2,1-6H3
InChIKeyOXQBXJNAIKPNCZ-UHFFFAOYSA-N
XLogP1.13
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine (CID 59042019) is N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine is COCC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1.
What is the InChIKey of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine?
The InChIKey is OXQBXJNAIKPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N3O5P/c1-13-7-18(5)9-15(23-13)12-22-25(20,17(3)4)19-8-14(2)24-16(10-19)11-21-6/h13-16H,7-12H2,1-6H3.
What are the key properties of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine?
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine has a molecular weight of 379.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 59042019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).