3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol

C11H23NO3 — CID 173467786

IUPAC3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol
SMILESC/C(=C\COC(C)(C)CCO)OCCN
InChIInChI=1S/C11H23NO3/c1-10(14-9-6-12)4-8-15-11(2,3)5-7-13/h4,13H,5-9,12H2,1-3H3/b10-4+
InChIKeyQKYONWVKHVHYII-ONNFQVAWSA-N
MW217.31 g/mol
LogP1.04
Rot. Bonds8

About 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol

3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol (PubChem CID 173467786) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol
PubChem CID173467786
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol
SMILESC/C(=C\COC(C)(C)CCO)OCCN
InChIInChI=1S/C11H23NO3/c1-10(14-9-6-12)4-8-15-11(2,3)5-7-13/h4,13H,5-9,12H2,1-3H3/b10-4+
InChIKeyQKYONWVKHVHYII-ONNFQVAWSA-N
XLogP1.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethoxy)-3-methylbutan-1-ol;ethane;5-methylhexan-2-one
CID 156868850
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
2-[(Z)-1-iodoprop-1-en-2-yl]oxyethanamine
CID 58346216
triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate
CID 91305541
3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
CID 173479452
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
CID 121265139
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
3,4-diamino-3-methylbutan-1-ol
CID 150597042
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol?
The IUPAC name of 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol (CID 173467786) is 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol is C/C(=C\COC(C)(C)CCO)OCCN.
What is the InChIKey of 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol?
The InChIKey is QKYONWVKHVHYII-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(14-9-6-12)4-8-15-11(2,3)5-7-13/h4,13H,5-9,12H2,1-3H3/b10-4+.
What are the key properties of 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol?
3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2-aminoethoxy)but-2-enoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 173467786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).