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

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

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

Launch Full Analysis

Related Compounds

2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 165461904
2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
CID 62270220
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
1-methoxy-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine
CID 123868125

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).