3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one

C16H37NO3 — CID 156868850

IUPAC3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one
SMILESCC.CC(=O)CCC(C)C.CC(C)(CCO)OCCN
InChIInChI=1S/C7H17NO2.C7H14O.C2H6/c1-7(2,3-5-9)10-6-4-8;1-6(2)4-5-7(3)8;1-2/h9H,3-6,8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyAKLBZZAHEHEFAY-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.16
Rot. Bonds8

About 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one

3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one (PubChem CID 156868850) has the molecular formula C16H37NO3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one
PubChem CID156868850
Molecular FormulaC16H37NO3
Molecular Weight291.48 g/mol
Exact Mass291.28
IUPAC Name3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one
SMILESCC.CC(=O)CCC(C)C.CC(C)(CCO)OCCN
InChIInChI=1S/C7H17NO2.C7H14O.C2H6/c1-7(2,3-5-9)10-6-4-8;1-6(2)4-5-7(3)8;1-2/h9H,3-6,8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyAKLBZZAHEHEFAY-UHFFFAOYSA-N
XLogP3.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-hydroxy-N-[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]propanamide;2-(3-methylbutoxy)ethanol
CID 143506852
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
1-(2-aminoethoxy)-5-methylhexan-2-one
CID 116590814
3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol
CID 173467786
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
1-(4-hydroxy-2-methylbutan-2-yl)oxy-3-methylbutan-2-one
CID 123147699
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one?
The IUPAC name of 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one (CID 156868850) is 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one.
What is the SMILES notation for 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one?
The canonical SMILES for 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one is CC.CC(=O)CCC(C)C.CC(C)(CCO)OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one?
The InChIKey is AKLBZZAHEHEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.C7H14O.C2H6/c1-7(2,3-5-9)10-6-4-8;1-6(2)4-5-7(3)8;1-2/h9H,3-6,8H2,1-2H3;6H,4-5H2,1-3H3;1-2H3.
What are the key properties of 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one?
3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one has a molecular weight of 291.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one is sourced from PubChem (CID 156868850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).