sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide

C8H18NNaO2 — CID 140645519

IUPACsodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
SMILESCCC(C)COCC(O)C[NH-].[Na+]
InChIInChI=1S/C8H18NO2.Na/c1-3-7(2)5-11-6-8(10)4-9;/h7-10H,3-6H2,1-2H3;/q-1;+1
InChIKeySDZYJTIWSQCNBZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.53
Rot. Bonds6

About sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide

sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide (PubChem CID 140645519) has the molecular formula C8H18NNaO2 and a molecular weight of 183.23 g/mol. Its IUPAC name is sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide.

Molecular Properties

Compound Namesodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
PubChem CID140645519
Molecular FormulaC8H18NNaO2
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Namesodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
SMILESCCC(C)COCC(O)C[NH-].[Na+]
InChIInChI=1S/C8H18NO2.Na/c1-3-7(2)5-11-6-8(10)4-9;/h7-10H,3-6H2,1-2H3;/q-1;+1
InChIKeySDZYJTIWSQCNBZ-UHFFFAOYSA-N
XLogP-1.53
TPSA53.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide?
The IUPAC name of sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide (CID 140645519) is sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide.
What is the SMILES notation for sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide?
The canonical SMILES for sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide is CCC(C)COCC(O)C[NH-].[Na+].
What is the InChIKey of sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide?
The InChIKey is SDZYJTIWSQCNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2.Na/c1-3-7(2)5-11-6-8(10)4-9;/h7-10H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide?
sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide has a molecular weight of 183.23 g/mol, XLogP of -1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide is sourced from PubChem (CID 140645519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).