2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine

C14H29NO3 — CID 153377293

IUPAC2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCCOCCOCCC
InChIInChI=1S/C14H29NO3/c1-4-8-16-12-13-18-11-7-15-6-10-17-9-5-14(2)3/h15H,2,4-13H2,1,3H3
InChIKeyYOIMOOANVBLSDS-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.00
Rot. Bonds14

About 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine

2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine (PubChem CID 153377293) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
PubChem CID153377293
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCCOCCOCCC
InChIInChI=1S/C14H29NO3/c1-4-8-16-12-13-18-11-7-15-6-10-17-9-5-14(2)3/h15H,2,4-13H2,1,3H3
InChIKeyYOIMOOANVBLSDS-UHFFFAOYSA-N
XLogP2.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470965
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
N-methyl-2-(3-methylbut-3-enoxy)ethanamine
CID 114470713
ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142382423
2-[2-[2-(3-Methylbut-3-enoxy)ethoxy]ethoxy]ethanamine
CID 142585414
N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine
CID 146535773
2-[2-(3-Methylbut-3-enoxy)ethoxy]ethanamine
CID 148505333
N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine
CID 154950733
3-methyl-N-(2-propoxyethyl)but-3-en-1-amine
CID 163647856
N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 166461695
N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide
CID 167103065
N-methyl-2-[2-(3-methylbut-3-enoxy)ethoxy]ethanamine
CID 169641240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The IUPAC name of 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine (CID 153377293) is 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine is C=C(C)CCOCCNCCOCCOCCC.
What is the InChIKey of 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The InChIKey is YOIMOOANVBLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-8-16-12-13-18-11-7-15-6-10-17-9-5-14(2)3/h15H,2,4-13H2,1,3H3.
What are the key properties of 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 2.00, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine is sourced from PubChem (CID 153377293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).