2-(dicyclohexylamino)ethyl dihydrogen phosphate

C14H28NO4P — CID 90860434

IUPAC2-(dicyclohexylamino)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H28NO4P/c16-20(17,18)19-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,16,17,18)
InChIKeyVVEHPDJEBFTMNO-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.06
Rot. Bonds6

About 2-(dicyclohexylamino)ethyl dihydrogen phosphate

2-(dicyclohexylamino)ethyl dihydrogen phosphate (PubChem CID 90860434) has the molecular formula C14H28NO4P and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(dicyclohexylamino)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(dicyclohexylamino)ethyl dihydrogen phosphate
PubChem CID90860434
Molecular FormulaC14H28NO4P
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name2-(dicyclohexylamino)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H28NO4P/c16-20(17,18)19-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,16,17,18)
InChIKeyVVEHPDJEBFTMNO-UHFFFAOYSA-N
XLogP3.06
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 20776546
cyclohexylmethyl dihydrogen phosphate
CID 14982025
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
17-cyclopentylheptadecyl dihydrogen phosphate
CID 19374057
2-(dicyclohexylamino)ethanesulfonate
CID 153294170
2-cyanoethyl dihydrogen phosphate;cyclohexanamine
CID 170844693
zinc bis(3-(dicyclohexylamino)propanoate)
CID 70302332
2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
CID 11300242
N-cyclohexyl-N-(silylmethyl)cyclohexanamine
CID 123289765
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
CID 63074524

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylamino)ethyl dihydrogen phosphate?
The IUPAC name of 2-(dicyclohexylamino)ethyl dihydrogen phosphate (CID 90860434) is 2-(dicyclohexylamino)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(dicyclohexylamino)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(dicyclohexylamino)ethyl dihydrogen phosphate is O=P(O)(O)OCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylamino)ethyl dihydrogen phosphate?
The InChIKey is VVEHPDJEBFTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO4P/c16-20(17,18)19-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,16,17,18).
What are the key properties of 2-(dicyclohexylamino)ethyl dihydrogen phosphate?
2-(dicyclohexylamino)ethyl dihydrogen phosphate has a molecular weight of 305.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)ethyl dihydrogen phosphate is sourced from PubChem (CID 90860434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).