N,N-diethylethanamine;hydroxy(oxo)phosphanium

C6H17NO2P+ — CID 131738597

IUPACN,N-diethylethanamine;hydroxy(oxo)phosphanium
SMILESCCN(CC)CC.O=[PH+]O
InChIInChI=1S/C6H15N.HO2P/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;3H/p+1
InChIKeyOPRBSWDPCUMZLM-UHFFFAOYSA-O
MW166.18 g/mol
LogP1.27
Rot. Bonds3

About N,N-diethylethanamine;hydroxy(oxo)phosphanium

N,N-diethylethanamine;hydroxy(oxo)phosphanium (PubChem CID 131738597) has the molecular formula C6H17NO2P+ and a molecular weight of 166.18 g/mol. Its IUPAC name is N,N-diethylethanamine;hydroxy(oxo)phosphanium.

Molecular Properties

Compound NameN,N-diethylethanamine;hydroxy(oxo)phosphanium
PubChem CID131738597
Molecular FormulaC6H17NO2P+
Molecular Weight166.18 g/mol
Exact Mass166.10
IUPAC NameN,N-diethylethanamine;hydroxy(oxo)phosphanium
SMILESCCN(CC)CC.O=[PH+]O
InChIInChI=1S/C6H15N.HO2P/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;3H/p+1
InChIKeyOPRBSWDPCUMZLM-UHFFFAOYSA-O
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;oxotitanium
CID 174882939
N,N-diethylethanamine;formaldehyde
CID 88603277
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;hypochlorous acid
CID 87187871
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine chloride
CID 22292735
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;sulfur dioxide
CID 12824984

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hydroxy(oxo)phosphanium?
The IUPAC name of N,N-diethylethanamine;hydroxy(oxo)phosphanium (CID 131738597) is N,N-diethylethanamine;hydroxy(oxo)phosphanium.
What is the SMILES notation for N,N-diethylethanamine;hydroxy(oxo)phosphanium?
The canonical SMILES for N,N-diethylethanamine;hydroxy(oxo)phosphanium is CCN(CC)CC.O=[PH+]O.
What is the InChIKey of N,N-diethylethanamine;hydroxy(oxo)phosphanium?
The InChIKey is OPRBSWDPCUMZLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.HO2P/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;3H/p+1.
What are the key properties of N,N-diethylethanamine;hydroxy(oxo)phosphanium?
N,N-diethylethanamine;hydroxy(oxo)phosphanium has a molecular weight of 166.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hydroxy(oxo)phosphanium is sourced from PubChem (CID 131738597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).