disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine

C8H18NNa2O2P — CID 171934058

IUPACdisodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine
SMILESCCCC(N(CC)CC)P([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H18NO2P.2Na/c1-4-7-8(12(10)11)9(5-2)6-3;;/h8H,4-7H2,1-3H3;;/q-2;2*+1
InChIKeyIMHGKOJZNMYGSL-UHFFFAOYSA-N
MW237.19 g/mol
LogP-5.51
Rot. Bonds6

About disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine

disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine (PubChem CID 171934058) has the molecular formula C8H18NNa2O2P and a molecular weight of 237.19 g/mol. Its IUPAC name is disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Namedisodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine
PubChem CID171934058
Molecular FormulaC8H18NNa2O2P
Molecular Weight237.19 g/mol
Exact Mass237.09
IUPAC Namedisodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine
SMILESCCCC(N(CC)CC)P([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H18NO2P.2Na/c1-4-7-8(12(10)11)9(5-2)6-3;;/h8H,4-7H2,1-3H3;;/q-2;2*+1
InChIKeyIMHGKOJZNMYGSL-UHFFFAOYSA-N
XLogP-5.51
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 5-5.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine?
The IUPAC name of disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine (CID 171934058) is disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine.
What is the SMILES notation for disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine?
The canonical SMILES for disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine is CCCC(N(CC)CC)P([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine?
The InChIKey is IMHGKOJZNMYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2P.2Na/c1-4-7-8(12(10)11)9(5-2)6-3;;/h8H,4-7H2,1-3H3;;/q-2;2*+1.
What are the key properties of disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine?
disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine has a molecular weight of 237.19 g/mol, XLogP of -5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-dioxidophosphanyl-N,N-diethylbutan-1-amine is sourced from PubChem (CID 171934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).