2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol

C11H23NO2 — CID 114466003

IUPAC2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
SMILESC=C(C)COCCNC(C)C(C)(C)O
InChIInChI=1S/C11H23NO2/c1-9(2)8-14-7-6-12-10(3)11(4,5)13/h10,12-13H,1,6-8H2,2-5H3
InChIKeySGKUVYGTUYOTRT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds7

About 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol

2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol (PubChem CID 114466003) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
PubChem CID114466003
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
SMILESC=C(C)COCCNC(C)C(C)(C)O
InChIInChI=1S/C11H23NO2/c1-9(2)8-14-7-6-12-10(3)11(4,5)13/h10,12-13H,1,6-8H2,2-5H3
InChIKeySGKUVYGTUYOTRT-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 103033655
(2R)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932642
(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932643
2,2-Dimethyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114465893
2-Methyl-4-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467124
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467162
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199
1-[2-(2-Methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467318
3-[2-(2-Methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114467358
2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467393
2-Methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114467459
2-[2-(2-Methylprop-2-enoxy)ethylamino]ethanol
CID 114467469

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol (CID 114466003) is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol is C=C(C)COCCNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The InChIKey is SGKUVYGTUYOTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)8-14-7-6-12-10(3)11(4,5)13/h10,12-13H,1,6-8H2,2-5H3.
What are the key properties of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol is sourced from PubChem (CID 114466003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).