2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine

C15H31NO3 — CID 102640388

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOCCOCCCC
InChIInChI=1S/C15H31NO3/c1-4-6-8-17-10-12-19-13-11-18-9-7-15(3,5-2)14-16/h5H,2,4,6-14,16H2,1,3H3
InChIKeyCQYYKEDFVMJLEW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.38
Rot. Bonds14

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine (PubChem CID 102640388) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
PubChem CID102640388
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCOCCOCCCC
InChIInChI=1S/C15H31NO3/c1-4-6-8-17-10-12-19-13-11-18-9-7-15(3,5-2)14-16/h5H,2,4,6-14,16H2,1,3H3
InChIKeyCQYYKEDFVMJLEW-UHFFFAOYSA-N
XLogP2.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.38
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-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682417
2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682422
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407
2-Methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine (CID 102640388) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOCCOCCOCCCC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
The InChIKey is CQYYKEDFVMJLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-6-8-17-10-12-19-13-11-18-9-7-15(3,5-2)14-16/h5H,2,4,6-14,16H2,1,3H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.38, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).