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

C12H25NO2 — CID 62598699

IUPACN-(2-but-3-enoxyethyl)-2-butoxyethanamine
SMILESC=CCCOCCNCCOCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h3,13H,1,4-12H2,2H3
InChIKeyYHUKXFSZVMQSJK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.99
Rot. Bonds12

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

N-(2-but-3-enoxyethyl)-2-butoxyethanamine (PubChem CID 62598699) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-butoxyethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-butoxyethanamine
PubChem CID62598699
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-but-3-enoxyethyl)-2-butoxyethanamine
SMILESC=CCCOCCNCCOCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h3,13H,1,4-12H2,2H3
InChIKeyYHUKXFSZVMQSJK-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.99
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

2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-butoxyethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-butoxyethanamine (CID 62598699) is N-(2-but-3-enoxyethyl)-2-butoxyethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-butoxyethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-butoxyethanamine is C=CCCOCCNCCOCCCC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-butoxyethanamine?
The InChIKey is YHUKXFSZVMQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h3,13H,1,4-12H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-butoxyethanamine?
N-(2-but-3-enoxyethyl)-2-butoxyethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.99, 12 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-butoxyethanamine is sourced from PubChem (CID 62598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).