N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid

C6H19NO4P2 — CID 87602181

IUPACN,N-diethylethanamine;dihydroxyphosphanylphosphonous acid
SMILESCCN(CC)CC.OP(O)P(O)O
InChIInChI=1S/C6H15N.H4O4P2/c1-4-7(5-2)6-3;1-5(2)6(3)4/h4-6H2,1-3H3;1-4H
InChIKeyTUUTVIJGZDVYKQ-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.84
Rot. Bonds4

About N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid

N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid (PubChem CID 87602181) has the molecular formula C6H19NO4P2 and a molecular weight of 231.17 g/mol. Its IUPAC name is N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid.

Molecular Properties

Compound NameN,N-diethylethanamine;dihydroxyphosphanylphosphonous acid
PubChem CID87602181
Molecular FormulaC6H19NO4P2
Molecular Weight231.17 g/mol
Exact Mass231.08
IUPAC NameN,N-diethylethanamine;dihydroxyphosphanylphosphonous acid
SMILESCCN(CC)CC.OP(O)P(O)O
InChIInChI=1S/C6H15N.H4O4P2/c1-4-7(5-2)6-3;1-5(2)6(3)4/h4-6H2,1-3H3;1-4H
InChIKeyTUUTVIJGZDVYKQ-UHFFFAOYSA-N
XLogP0.84
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;hypochlorous acid
CID 87187871
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine chloride
CID 22292735
N,N-diethylethanamine;zinc;dihydrochloride
CID 175296051
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
lithium;N,N-diethylethanamine;hydride
CID 161206277

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid?
The IUPAC name of N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid (CID 87602181) is N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid.
What is the SMILES notation for N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid?
The canonical SMILES for N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid is CCN(CC)CC.OP(O)P(O)O.
What is the InChIKey of N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid?
The InChIKey is TUUTVIJGZDVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H4O4P2/c1-4-7(5-2)6-3;1-5(2)6(3)4/h4-6H2,1-3H3;1-4H.
What are the key properties of N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid?
N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid has a molecular weight of 231.17 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;dihydroxyphosphanylphosphonous acid is sourced from PubChem (CID 87602181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).