2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol

C12H27NO2 — CID 62270584

IUPAC2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)C(C)COC
InChIInChI=1S/C12H27NO2/c1-6-12(7-2,10-14)9-13(4)11(3)8-15-5/h11,14H,6-10H2,1-5H3
InChIKeyHXBKMKZUQFGMBV-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.75
Rot. Bonds8

About 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol

2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol (PubChem CID 62270584) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
PubChem CID62270584
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)C(C)COC
InChIInChI=1S/C12H27NO2/c1-6-12(7-2,10-14)9-13(4)11(3)8-15-5/h11,14H,6-10H2,1-5H3
InChIKeyHXBKMKZUQFGMBV-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol (CID 62270584) is 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)C(C)COC.
What is the InChIKey of 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol?
The InChIKey is HXBKMKZUQFGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-12(7-2,10-14)9-13(4)11(3)8-15-5/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 62270584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).