2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate

C14H26Br2N2O4 — CID 20815845

IUPAC2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCNCCNCCOC(=O)C(C)(C)Br
InChIInChI=1S/C14H26Br2N2O4/c1-13(2,15)11(19)21-9-7-17-5-6-18-8-10-22-12(20)14(3,4)16/h17-18H,5-10H2,1-4H3
InChIKeyZHKKQGDKZCJETO-UHFFFAOYSA-N
MW446.18 g/mol
LogP1.60
Rot. Bonds11

About 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate

2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate (PubChem CID 20815845) has the molecular formula C14H26Br2N2O4 and a molecular weight of 446.18 g/mol. Its IUPAC name is 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate
PubChem CID20815845
Molecular FormulaC14H26Br2N2O4
Molecular Weight446.18 g/mol
Exact Mass444.03
IUPAC Name2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCNCCNCCOC(=O)C(C)(C)Br
InChIInChI=1S/C14H26Br2N2O4/c1-13(2,15)11(19)21-9-7-17-5-6-18-8-10-22-12(20)14(3,4)16/h17-18H,5-10H2,1-4H3
InChIKeyZHKKQGDKZCJETO-UHFFFAOYSA-N
XLogP1.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Aminoethylamino)ethyl 2-bromo-2-methylpropanoate
CID 20815847
[2-[(2-Bromo-2-methylpropanoyl)oxymethylamino]ethylamino]methyl 2-bromo-2-methylpropanoate
CID 20815853
2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]ethyl 2-bromo-2-methylpropanoate;hydrochloride
CID 141478593
2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]ethyl 2-bromo-2-methylpropanoate
CID 141478594
2-Piperazin-1-ium-1-ylethyl 2-bromopropanoate
CID 162508419
2-Piperazin-1-ylethyl 2-bromopropanoate
CID 162508420
2-(2-Bromo-2-methylpropanoyl)oxyethyl-diethylazanium
CID 162508425
3-Aminopropyl-bis[2-(2-bromopropanoyloxy)ethyl]azanium
CID 162508858
2-[3-Aminopropyl-[2-(2-bromopropanoyloxy)ethyl]amino]ethyl 2-bromopropanoate
CID 162508859
2-(2-Bromopropanoyloxy)ethyl-diethylazanium
CID 162508892
2-Piperazin-1-ium-1-ylethyl 2-bromo-2-methylpropanoate
CID 162509543
2-Piperazin-1-ylethyl 2-bromo-2-methylpropanoate
CID 162509544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate (CID 20815845) is 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OCCNCCNCCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate?
The InChIKey is ZHKKQGDKZCJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Br2N2O4/c1-13(2,15)11(19)21-9-7-17-5-6-18-8-10-22-12(20)14(3,4)16/h17-18H,5-10H2,1-4H3.
What are the key properties of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate?
2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 446.18 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethylamino]ethylamino]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 20815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).