2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol

C12H27NO2 — CID 106256493

IUPAC2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol
SMILESCCCOCCNCC(CC)(CC)CO
InChIInChI=1S/C12H27NO2/c1-4-8-15-9-7-13-10-12(5-2,6-3)11-14/h13-14H,4-11H2,1-3H3
InChIKeyJWTAVYYENUKAJJ-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds10

About 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol

2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol (PubChem CID 106256493) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol
PubChem CID106256493
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol
SMILESCCCOCCNCC(CC)(CC)CO
InChIInChI=1S/C12H27NO2/c1-4-8-15-9-7-13-10-12(5-2,6-3)11-14/h13-14H,4-11H2,1-3H3
InChIKeyJWTAVYYENUKAJJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419256
2-Ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 105905578
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]-2-ethylbutan-1-ol
CID 105906025
3,3-Dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 106146509
2-Ethyl-2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]butan-1-ol
CID 106256437
2-Ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol
CID 106256468
1-(2-Hydroxypropylamino)-4,4-dimethylhexan-3-ol
CID 18533829
2-Ethyl-2-(propylaminomethyl)butan-1-ol
CID 79007009
2-Ethyl-2-(ethylaminomethyl)butan-1-ol
CID 81411782
1-(2-Hydroxyethylamino)-2,2-dimethylbutan-1-ol
CID 89217078
[1-[(2-Methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol (CID 106256493) is 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol is CCCOCCNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol?
The InChIKey is JWTAVYYENUKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-8-15-9-7-13-10-12(5-2,6-3)11-14/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol?
2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-propoxyethylamino)methyl]butan-1-ol is sourced from PubChem (CID 106256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).