N-ethenyl-N-ethylethanamine;phosphoric acid

C6H16NO4P — CID 175098151

IUPACN-ethenyl-N-ethylethanamine;phosphoric acid
SMILESC=CN(CC)CC.O=P(O)(O)O
InChIInChI=1S/C6H13N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4H,1,5-6H2,2-3H3;(H3,1,2,3,4)
InChIKeyFKSZYJGMGSBZCD-UHFFFAOYSA-N
MW197.17 g/mol
LogP0.54
Rot. Bonds3

About N-ethenyl-N-ethylethanamine;phosphoric acid

N-ethenyl-N-ethylethanamine;phosphoric acid (PubChem CID 175098151) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is N-ethenyl-N-ethylethanamine;phosphoric acid.

Molecular Properties

Compound NameN-ethenyl-N-ethylethanamine;phosphoric acid
PubChem CID175098151
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC NameN-ethenyl-N-ethylethanamine;phosphoric acid
SMILESC=CN(CC)CC.O=P(O)(O)O
InChIInChI=1S/C6H13N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4H,1,5-6H2,2-3H3;(H3,1,2,3,4)
InChIKeyFKSZYJGMGSBZCD-UHFFFAOYSA-N
XLogP0.54
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 50.54
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

chlorosilane;N-ethenyl-N-ethylethanamine
CID 174659520
phosphoric acid;prop-1-ene
CID 175586036
ethane;N-ethenyl-N-ethylpropan-1-amine
CID 143192910
N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
CID 174858360
butane;phosphoric acid;prop-2-enamide
CID 159316874
N-diaminophosphoryl-N-ethenylethanamine
CID 175550042
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504
iron;phosphoric acid
CID 174838016
iron;phosphoric acid
CID 175001141
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphane;phosphoric acid
CID 175495046
ethanethiol;phosphoric acid
CID 175577772

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethylethanamine;phosphoric acid?
The IUPAC name of N-ethenyl-N-ethylethanamine;phosphoric acid (CID 175098151) is N-ethenyl-N-ethylethanamine;phosphoric acid.
What is the SMILES notation for N-ethenyl-N-ethylethanamine;phosphoric acid?
The canonical SMILES for N-ethenyl-N-ethylethanamine;phosphoric acid is C=CN(CC)CC.O=P(O)(O)O.
What is the InChIKey of N-ethenyl-N-ethylethanamine;phosphoric acid?
The InChIKey is FKSZYJGMGSBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4H,1,5-6H2,2-3H3;(H3,1,2,3,4).
What are the key properties of N-ethenyl-N-ethylethanamine;phosphoric acid?
N-ethenyl-N-ethylethanamine;phosphoric acid has a molecular weight of 197.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethylethanamine;phosphoric acid is sourced from PubChem (CID 175098151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).