N-ethylethanamine;ethylphosphonic acid

C6H18NO3P — CID 174663902

IUPACN-ethylethanamine;ethylphosphonic acid
SMILESCCNCC.CCP(=O)(O)O
InChIInChI=1S/C4H11N.C2H7O3P/c1-3-5-4-2;1-2-6(3,4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyUMKSNLQYDPNTHU-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.80
Rot. Bonds3

About N-ethylethanamine;ethylphosphonic acid

N-ethylethanamine;ethylphosphonic acid (PubChem CID 174663902) has the molecular formula C6H18NO3P and a molecular weight of 183.19 g/mol. Its IUPAC name is N-ethylethanamine;ethylphosphonic acid.

Molecular Properties

Compound NameN-ethylethanamine;ethylphosphonic acid
PubChem CID174663902
Molecular FormulaC6H18NO3P
Molecular Weight183.19 g/mol
Exact Mass183.10
IUPAC NameN-ethylethanamine;ethylphosphonic acid
SMILESCCNCC.CCP(=O)(O)O
InChIInChI=1S/C4H11N.C2H7O3P/c1-3-5-4-2;1-2-6(3,4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyUMKSNLQYDPNTHU-UHFFFAOYSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethylethanamine;hydride;phosphoric acid
CID 175590291
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
[bromo(phosphono)methyl]phosphonic acid;N-ethylethanamine
CID 172830708
2-(ethylamino)ethylphosphonic acid
CID 12557409
sodium;ethylphosphonic acid;hydride
CID 173023675
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
N-ethylethanamine;oxoiron
CID 175322821
N-ethylethanamine;platinum
CID 88506582

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;ethylphosphonic acid?
The IUPAC name of N-ethylethanamine;ethylphosphonic acid (CID 174663902) is N-ethylethanamine;ethylphosphonic acid.
What is the SMILES notation for N-ethylethanamine;ethylphosphonic acid?
The canonical SMILES for N-ethylethanamine;ethylphosphonic acid is CCNCC.CCP(=O)(O)O.
What is the InChIKey of N-ethylethanamine;ethylphosphonic acid?
The InChIKey is UMKSNLQYDPNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H7O3P/c1-3-5-4-2;1-2-6(3,4)5/h5H,3-4H2,1-2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of N-ethylethanamine;ethylphosphonic acid?
N-ethylethanamine;ethylphosphonic acid has a molecular weight of 183.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;ethylphosphonic acid is sourced from PubChem (CID 174663902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).