2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine

C16H33NO3 — CID 102640565

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOCCOCCCC)CNC
InChIInChI=1S/C16H33NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h6,17H,2,5,7-15H2,1,3-4H3
InChIKeyRANHLWUANZXUSR-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.64
Rot. Bonds15

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640565) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine
PubChem CID102640565
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCOCCOCCCC)CNC
InChIInChI=1S/C16H33NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h6,17H,2,5,7-15H2,1,3-4H3
InChIKeyRANHLWUANZXUSR-UHFFFAOYSA-N
XLogP2.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.64
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-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-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640490
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507
2-(2-ethoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640527
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640584
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640592
N,2-dimethyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
CID 102640597
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640663
2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
CID 102640678

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine (CID 102640565) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCOCCOCCOCCCC)CNC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine?
The InChIKey is RANHLWUANZXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h6,17H,2,5,7-15H2,1,3-4H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,2-dimethylbut-3-en-1-amine has a molecular weight of 287.44 g/mol, XLogP of 2.64, 15 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]-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).