2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine

C10H25N3O3 — CID 151090377

IUPAC2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine
SMILESCCCC(OCCN)(OCCN)OCCN
InChIInChI=1S/C10H25N3O3/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h2-9,11-13H2,1H3
InChIKeyMLZOVOAGLXYNGC-UHFFFAOYSA-N
MW235.33 g/mol
LogP-0.63
Rot. Bonds11

About 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine

2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine (PubChem CID 151090377) has the molecular formula C10H25N3O3 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine.

Molecular Properties

Compound Name2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine
PubChem CID151090377
Molecular FormulaC10H25N3O3
Molecular Weight235.33 g/mol
Exact Mass235.19
IUPAC Name2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine
SMILESCCCC(OCCN)(OCCN)OCCN
InChIInChI=1S/C10H25N3O3/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h2-9,11-13H2,1H3
InChIKeyMLZOVOAGLXYNGC-UHFFFAOYSA-N
XLogP-0.63
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(aminomethoxy)butoxymethanamine
CID 57155830
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
4-propylheptan-4-yloxymethanamine
CID 23136762
3-[(3S)-2,2,3-trimethylhexan-3-yl]oxypropan-1-amine
CID 138567145
N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]propan-1-amine
CID 143998493
2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol
CID 159037727
2-(1,1-dimethoxyethoxy)ethanamine
CID 162353967
2-(2-aminoethoxy)-1,2-diphenylpentan-1-one
CID 67632369
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
CID 177243873
CID 177243873

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine?
The IUPAC name of 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine (CID 151090377) is 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine.
What is the SMILES notation for 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine?
The canonical SMILES for 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine is CCCC(OCCN)(OCCN)OCCN.
What is the InChIKey of 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine?
The InChIKey is MLZOVOAGLXYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O3/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h2-9,11-13H2,1H3.
What are the key properties of 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine?
2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine has a molecular weight of 235.33 g/mol, XLogP of -0.63, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine is sourced from PubChem (CID 151090377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).