sodium;N-propan-2-ylpropan-2-amine;hydroxide

C6H16NNaO — CID 87533084

IUPACsodium;N-propan-2-ylpropan-2-amine;hydroxide
SMILESCC(C)NC(C)C.[Na+].[OH-]
InChIInChI=1S/C6H15N.Na.H2O/c1-5(2)7-6(3)4;;/h5-7H,1-4H3;;1H2/q;+1;/p-1
InChIKeyMRKJWUVHTGDEHK-UHFFFAOYSA-M
MW141.19 g/mol
LogP-1.78
Rot. Bonds2

About sodium;N-propan-2-ylpropan-2-amine;hydroxide

sodium;N-propan-2-ylpropan-2-amine;hydroxide (PubChem CID 87533084) has the molecular formula C6H16NNaO and a molecular weight of 141.19 g/mol. Its IUPAC name is sodium;N-propan-2-ylpropan-2-amine;hydroxide.

Molecular Properties

Compound Namesodium;N-propan-2-ylpropan-2-amine;hydroxide
PubChem CID87533084
Molecular FormulaC6H16NNaO
Molecular Weight141.19 g/mol
Exact Mass141.11
IUPAC Namesodium;N-propan-2-ylpropan-2-amine;hydroxide
SMILESCC(C)NC(C)C.[Na+].[OH-]
InChIInChI=1S/C6H15N.Na.H2O/c1-5(2)7-6(3)4;;/h5-7H,1-4H3;;1H2/q;+1;/p-1
InChIKeyMRKJWUVHTGDEHK-UHFFFAOYSA-M
XLogP-1.78
TPSA42.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze sodium;N-propan-2-ylpropan-2-amine;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;N-propan-2-ylpropan-2-amine;hydroxide?
The IUPAC name of sodium;N-propan-2-ylpropan-2-amine;hydroxide (CID 87533084) is sodium;N-propan-2-ylpropan-2-amine;hydroxide.
What is the SMILES notation for sodium;N-propan-2-ylpropan-2-amine;hydroxide?
The canonical SMILES for sodium;N-propan-2-ylpropan-2-amine;hydroxide is CC(C)NC(C)C.[Na+].[OH-].
What is the InChIKey of sodium;N-propan-2-ylpropan-2-amine;hydroxide?
The InChIKey is MRKJWUVHTGDEHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.Na.H2O/c1-5(2)7-6(3)4;;/h5-7H,1-4H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;N-propan-2-ylpropan-2-amine;hydroxide?
sodium;N-propan-2-ylpropan-2-amine;hydroxide has a molecular weight of 141.19 g/mol, XLogP of -1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-propan-2-ylpropan-2-amine;hydroxide is sourced from PubChem (CID 87533084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).