2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine

C28H62N4O9 — CID 176847062

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
SMILESCCC(COCCOCCN)(COCCOCCN)COCC(CC)(COCCOCCN)COCCOCCN
InChIInChI=1S/C28H62N4O9/c1-3-27(21-37-17-13-33-9-5-29,22-38-18-14-34-10-6-30)25-41-26-28(4-2,23-39-19-15-35-11-7-31)24-40-20-16-36-12-8-32/h3-26,29-32H2,1-2H3
InChIKeySLEMOLQRRVTDDX-UHFFFAOYSA-N
MW598.82 g/mol
LogP-0.24
Rot. Bonds34

About 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine

2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine (PubChem CID 176847062) has the molecular formula C28H62N4O9 and a molecular weight of 598.82 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
PubChem CID176847062
Molecular FormulaC28H62N4O9
Molecular Weight598.82 g/mol
Exact Mass598.45
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
SMILESCCC(COCCOCCN)(COCCOCCN)COCC(CC)(COCCOCCN)COCCOCCN
InChIInChI=1S/C28H62N4O9/c1-3-27(21-37-17-13-33-9-5-29,22-38-18-14-34-10-6-30)25-41-26-28(4-2,23-39-19-15-35-11-7-31)24-40-20-16-36-12-8-32/h3-26,29-32H2,1-2H3
InChIKeySLEMOLQRRVTDDX-UHFFFAOYSA-N
XLogP-0.24
TPSA187.15 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.82
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
tris(1-[2,2-bis(2-aminoethoxymethyl)butoxy]propan-2-amine);tris(1-[2,2-bis(2-aminopropoxymethyl)butoxy]propan-2-amine)
CID 163666427
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethanamine;methane
CID 158951566
3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
CID 170363790
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
2-[3-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]-3-methylpentoxy]-2-methylpropan-1-amine
CID 165429919
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine (CID 176847062) is 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine is CCC(COCCOCCN)(COCCOCCN)COCC(CC)(COCCOCCN)COCCOCCN.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine?
The InChIKey is SLEMOLQRRVTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62N4O9/c1-3-27(21-37-17-13-33-9-5-29,22-38-18-14-34-10-6-30)25-41-26-28(4-2,23-39-19-15-35-11-7-31)24-40-20-16-36-12-8-32/h3-26,29-32H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine?
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine has a molecular weight of 598.82 g/mol, XLogP of -0.24, 34 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine is sourced from PubChem (CID 176847062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).