2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol

C18H43N2O7P — CID 174852561

IUPAC2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESCC(C)CCCCCCCOP(=O)(O)OCCN.OCCN(CCO)CCO
InChIInChI=1S/C12H28NO4P.C6H15NO3/c1-12(2)8-6-4-3-5-7-10-16-18(14,15)17-11-9-13;8-4-1-7(2-5-9)3-6-10/h12H,3-11,13H2,1-2H3,(H,14,15);8-10H,1-6H2
InChIKeySDCJNGVBTXTBME-UHFFFAOYSA-N
MW430.52 g/mol
LogP1.34
Rot. Bonds18

About 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol

2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol (PubChem CID 174852561) has the molecular formula C18H43N2O7P and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol
PubChem CID174852561
Molecular FormulaC18H43N2O7P
Molecular Weight430.52 g/mol
Exact Mass430.28
IUPAC Name2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESCC(C)CCCCCCCOP(=O)(O)OCCN.OCCN(CCO)CCO
InChIInChI=1S/C12H28NO4P.C6H15NO3/c1-12(2)8-6-4-3-5-7-10-16-18(14,15)17-11-9-13;8-4-1-7(2-5-9)3-6-10/h12H,3-11,13H2,1-2H3,(H,14,15);8-10H,1-6H2
InChIKeySDCJNGVBTXTBME-UHFFFAOYSA-N
XLogP1.34
TPSA145.71 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
bis(6-methylheptyl) hydrogen phosphate;tetradecan-1-amine
CID 175403528
ethyl 16-methylheptadecyl hydrogen phosphate
CID 174994214
bis(10-methylundecyl) hydrogen phosphate;ethane-1,1,1,2,2,2-hexol
CID 175031846
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
2-[ethyl(methyl)amino]ethyl 15-methylhexadecyl hydrogen phosphate
CID 121391964
methyl 6-methylheptyl hydrogen phosphate
CID 174422400
bis(2-[bis(2-hydroxyethyl)amino]ethanol);didodecyl hydrogen phosphate;dodecyl dihydrogen phosphate
CID 173403156
2,3-dihydroxypropyl 16-methylheptadecyl hydrogen phosphate
CID 87276102
6-methylheptoxy 6-methylheptyl hydrogen phosphate
CID 171569206
[hydroxy(8-methylnonoxy)phosphoryl] phosphono hydrogen phosphate
CID 141159700

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol (CID 174852561) is 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol is CC(C)CCCCCCCOP(=O)(O)OCCN.OCCN(CCO)CCO.
What is the InChIKey of 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol?
The InChIKey is SDCJNGVBTXTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4P.C6H15NO3/c1-12(2)8-6-4-3-5-7-10-16-18(14,15)17-11-9-13;8-4-1-7(2-5-9)3-6-10/h12H,3-11,13H2,1-2H3,(H,14,15);8-10H,1-6H2.
What are the key properties of 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol?
2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol has a molecular weight of 430.52 g/mol, XLogP of 1.34, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 8-methylnonyl hydrogen phosphate;2-[bis(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 174852561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).