2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol

C11H25NO3 — CID 66187180

IUPAC2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
SMILESCC(C)CCOCCNCC(C)(O)CO
InChIInChI=1S/C11H25NO3/c1-10(2)4-6-15-7-5-12-8-11(3,14)9-13/h10,12-14H,4-9H2,1-3H3
InChIKeyOEMAAEINMATTHC-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.38
Rot. Bonds9

About 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol

2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol (PubChem CID 66187180) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
PubChem CID66187180
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
SMILESCC(C)CCOCCNCC(C)(O)CO
InChIInChI=1S/C11H25NO3/c1-10(2)4-6-15-7-5-12-8-11(3,14)9-13/h10,12-14H,4-9H2,1-3H3
InChIKeyOEMAAEINMATTHC-UHFFFAOYSA-N
XLogP0.38
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol (CID 66187180) is 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol is CC(C)CCOCCNCC(C)(O)CO.
What is the InChIKey of 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol?
The InChIKey is OEMAAEINMATTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(2)4-6-15-7-5-12-8-11(3,14)9-13/h10,12-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol?
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol has a molecular weight of 219.32 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66187180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).