2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate

C9H22NO5P — CID 58758794

IUPAC2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
SMILESCCCCN(CCOC)CCOP(=O)(O)O
InChIInChI=1S/C9H22NO5P/c1-3-4-5-10(6-8-14-2)7-9-15-16(11,12)13/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyWHQQHOVPSPYXRN-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.84
Rot. Bonds10

About 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate

2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate (PubChem CID 58758794) has the molecular formula C9H22NO5P and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
PubChem CID58758794
Molecular FormulaC9H22NO5P
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
SMILESCCCCN(CCOC)CCOP(=O)(O)O
InChIInChI=1S/C9H22NO5P/c1-3-4-5-10(6-8-14-2)7-9-15-16(11,12)13/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyWHQQHOVPSPYXRN-UHFFFAOYSA-N
XLogP0.84
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(dihexadecylamino)dodecyl dihydrogen phosphate
CID 19435872
CID 170844828
CID 170844828
nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
azane;butyl dihydrogen phosphate
CID 173333807
N,N-dibutylbutan-1-amine;difluorophosphinic acid
CID 130422664
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
bis(2-[bis(2-hydroxyethyl)amino]ethanol);didodecyl hydrogen phosphate;dodecyl dihydrogen phosphate
CID 173403156
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
octatriacontyl dihydrogen phosphate
CID 140979287

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate?
The IUPAC name of 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate (CID 58758794) is 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate is CCCCN(CCOC)CCOP(=O)(O)O.
What is the InChIKey of 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate?
The InChIKey is WHQQHOVPSPYXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO5P/c1-3-4-5-10(6-8-14-2)7-9-15-16(11,12)13/h3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate?
2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate has a molecular weight of 255.25 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate is sourced from PubChem (CID 58758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).