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

C8H20NNa — CID 159603940

IUPACsodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
SMILESCCN(C(C)C)C(C)C.[H-].[Na+]
InChIInChI=1S/C8H19N.Na.H/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;;/q;+1;-1
InChIKeyMLVJTRCZUAVFBL-UHFFFAOYSA-N
MW153.25 g/mol
LogP-0.76
Rot. Bonds3

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

sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride (PubChem CID 159603940) has the molecular formula C8H20NNa and a molecular weight of 153.25 g/mol. Its IUPAC name is sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride.

Molecular Properties

Compound Namesodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
PubChem CID159603940
Molecular FormulaC8H20NNa
Molecular Weight153.25 g/mol
Exact Mass153.15
IUPAC Namesodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
SMILESCCN(C(C)C)C(C)C.[H-].[Na+]
InChIInChI=1S/C8H19N.Na.H/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;;/q;+1;-1
InChIKeyMLVJTRCZUAVFBL-UHFFFAOYSA-N
XLogP-0.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride?
The IUPAC name of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride (CID 159603940) is sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride.
What is the SMILES notation for sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride?
The canonical SMILES for sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride is CCN(C(C)C)C(C)C.[H-].[Na+].
What is the InChIKey of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride?
The InChIKey is MLVJTRCZUAVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.Na.H/c1-6-9(7(2)3)8(4)5;;/h7-8H,6H2,1-5H3;;/q;+1;-1.
What are the key properties of sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride?
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride has a molecular weight of 153.25 g/mol, XLogP of -0.76, 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;hydride is sourced from PubChem (CID 159603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).