aminomethyl 2-(methoxymethyl)butyl methyl phosphate

C8H20NO5P — CID 54539586

IUPACaminomethyl 2-(methoxymethyl)butyl methyl phosphate
SMILESCCC(COC)COP(=O)(OC)OCN
InChIInChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3
InChIKeyZCEVHYPUUMXIOM-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.36
Rot. Bonds9

About aminomethyl 2-(methoxymethyl)butyl methyl phosphate

aminomethyl 2-(methoxymethyl)butyl methyl phosphate (PubChem CID 54539586) has the molecular formula C8H20NO5P and a molecular weight of 241.22 g/mol. Its IUPAC name is aminomethyl 2-(methoxymethyl)butyl methyl phosphate.

Molecular Properties

Compound Nameaminomethyl 2-(methoxymethyl)butyl methyl phosphate
PubChem CID54539586
Molecular FormulaC8H20NO5P
Molecular Weight241.22 g/mol
Exact Mass241.11
IUPAC Nameaminomethyl 2-(methoxymethyl)butyl methyl phosphate
SMILESCCC(COC)COP(=O)(OC)OCN
InChIInChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3
InChIKeyZCEVHYPUUMXIOM-UHFFFAOYSA-N
XLogP1.36
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze aminomethyl 2-(methoxymethyl)butyl methyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
CID 54539585
1-methoxy-2-(methoxymethyl)butane
CID 23295181
[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate
CID 89228265
4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
2-[bis(2-ethylhexoxy)phosphoryloxy]ethyl 2-methylprop-2-enoate
CID 139937953
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670
(4-methoxy-3-methylbutyl) dimethyl phosphate
CID 134463907
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
3-methoxy-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 154577691
[aminomethyl(methoxy)phosphoryl]oxymethanamine
CID 174733426
aminomethyl methyl phosphate
CID 123377325

Frequently Asked Questions

What is the IUPAC name of aminomethyl 2-(methoxymethyl)butyl methyl phosphate?
The IUPAC name of aminomethyl 2-(methoxymethyl)butyl methyl phosphate (CID 54539586) is aminomethyl 2-(methoxymethyl)butyl methyl phosphate.
What is the SMILES notation for aminomethyl 2-(methoxymethyl)butyl methyl phosphate?
The canonical SMILES for aminomethyl 2-(methoxymethyl)butyl methyl phosphate is CCC(COC)COP(=O)(OC)OCN.
What is the InChIKey of aminomethyl 2-(methoxymethyl)butyl methyl phosphate?
The InChIKey is ZCEVHYPUUMXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3.
What are the key properties of aminomethyl 2-(methoxymethyl)butyl methyl phosphate?
aminomethyl 2-(methoxymethyl)butyl methyl phosphate has a molecular weight of 241.22 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl 2-(methoxymethyl)butyl methyl phosphate is sourced from PubChem (CID 54539586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).