2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine

C20H46N4O5 — CID 155605637

IUPAC2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
SMILESCCC(COCCN)(COCCN)COCC(CC)(COCCN)COCCN
InChIInChI=1S/C20H46N4O5/c1-3-19(13-25-9-5-21,14-26-10-6-22)17-29-18-20(4-2,15-27-11-7-23)16-28-12-8-24/h3-18,21-24H2,1-2H3
InChIKeyHCELFCHKBKPMKM-UHFFFAOYSA-N
MW422.61 g/mol
LogP-0.30
Rot. Bonds22

About 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine

2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine (PubChem CID 155605637) has the molecular formula C20H46N4O5 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
PubChem CID155605637
Molecular FormulaC20H46N4O5
Molecular Weight422.61 g/mol
Exact Mass422.35
IUPAC Name2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
SMILESCCC(COCCN)(COCCN)COCC(CC)(COCCN)COCCN
InChIInChI=1S/C20H46N4O5/c1-3-19(13-25-9-5-21,14-26-10-6-22)17-29-18-20(4-2,15-27-11-7-23)16-28-12-8-24/h3-18,21-24H2,1-2H3
InChIKeyHCELFCHKBKPMKM-UHFFFAOYSA-N
XLogP-0.30
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
tris(1-[2,2-bis(2-aminoethoxymethyl)butoxy]propan-2-amine);tris(1-[2,2-bis(2-aminopropoxymethyl)butoxy]propan-2-amine)
CID 163666427
3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
CID 170363790
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethanamine;methane
CID 158951566
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
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-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
CID 58841248
CID 58841248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine?
The IUPAC name of 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine (CID 155605637) is 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine?
The canonical SMILES for 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine is CCC(COCCN)(COCCN)COCC(CC)(COCCN)COCCN.
What is the InChIKey of 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine?
The InChIKey is HCELFCHKBKPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N4O5/c1-3-19(13-25-9-5-21,14-26-10-6-22)17-29-18-20(4-2,15-27-11-7-23)16-28-12-8-24/h3-18,21-24H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine?
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine has a molecular weight of 422.61 g/mol, XLogP of -0.30, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine is sourced from PubChem (CID 155605637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).