N-(2-but-3-enoxyethyl)-2-propoxyethanamine

C11H23NO2 — CID 106401975

IUPACN-(2-but-3-enoxyethyl)-2-propoxyethanamine
SMILESC=CCCOCCNCCOCCC
InChIInChI=1S/C11H23NO2/c1-3-5-9-14-11-7-12-6-10-13-8-4-2/h3,12H,1,4-11H2,2H3
InChIKeyCYQHBQZAZGGEIW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.60
Rot. Bonds11

About N-(2-but-3-enoxyethyl)-2-propoxyethanamine

N-(2-but-3-enoxyethyl)-2-propoxyethanamine (PubChem CID 106401975) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-propoxyethanamine
PubChem CID106401975
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-but-3-enoxyethyl)-2-propoxyethanamine
SMILESC=CCCOCCNCCOCCC
InChIInChI=1S/C11H23NO2/c1-3-5-9-14-11-7-12-6-10-13-8-4-2/h3,12H,1,4-11H2,2H3
InChIKeyCYQHBQZAZGGEIW-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methoxyethyl)but-3-en-1-amine
CID 62548500
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine
CID 106397113
2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106401382
2-but-3-enoxy-N-(2-fluoroethyl)ethanamine
CID 106401403
N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
CID 106401431
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
N-(2-but-3-enoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 106401750
2-but-3-enoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106401945
N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114184139
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-propoxyethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-propoxyethanamine (CID 106401975) is N-(2-but-3-enoxyethyl)-2-propoxyethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-propoxyethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-propoxyethanamine is C=CCCOCCNCCOCCC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-propoxyethanamine?
The InChIKey is CYQHBQZAZGGEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-9-14-11-7-12-6-10-13-8-4-2/h3,12H,1,4-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-propoxyethanamine?
N-(2-but-3-enoxyethyl)-2-propoxyethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-propoxyethanamine is sourced from PubChem (CID 106401975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).