sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide

C8H19INNa — CID 174682450

IUPACsodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
SMILESCCN(C(C)C)C(C)C.[I-].[Na+]
InChIInChI=1S/C8H19N.HI.Na/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;1H;/q;;+1/p-1
InChIKeyRPUGEBMVKAXADR-UHFFFAOYSA-M
MW279.14 g/mol
LogP-3.87
Rot. Bonds3

About sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide

sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide (PubChem CID 174682450) has the molecular formula C8H19INNa and a molecular weight of 279.14 g/mol. Its IUPAC name is sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide.

Molecular Properties

Compound Namesodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
PubChem CID174682450
Molecular FormulaC8H19INNa
Molecular Weight279.14 g/mol
Exact Mass279.05
IUPAC Namesodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
SMILESCCN(C(C)C)C(C)C.[I-].[Na+]
InChIInChI=1S/C8H19N.HI.Na/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;1H;/q;;+1/p-1
InChIKeyRPUGEBMVKAXADR-UHFFFAOYSA-M
XLogP-3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 5-3.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
CID 87772214
N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
CID 174977414
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112
ethenone;N-ethyl-N-propan-2-ylpropan-2-amine
CID 91070858

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide?
The IUPAC name of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide (CID 174682450) is sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide.
What is the SMILES notation for sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide?
The canonical SMILES for sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide is CCN(C(C)C)C(C)C.[I-].[Na+].
What is the InChIKey of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide?
The InChIKey is RPUGEBMVKAXADR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N.HI.Na/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;1H;/q;;+1/p-1.
What are the key properties of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide?
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide has a molecular weight of 279.14 g/mol, XLogP of -3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide is sourced from PubChem (CID 174682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).