2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine

C8H22N4 — CID 56997319

IUPAC2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine
SMILESCCN(CCN)N(CC)CCN
InChIInChI=1S/C8H22N4/c1-3-11(7-5-9)12(4-2)8-6-10/h3-10H2,1-2H3
InChIKeyDETHEPAIEYQKDA-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.54
Rot. Bonds7

About 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine

2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine (PubChem CID 56997319) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine.

Molecular Properties

Compound Name2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine
PubChem CID56997319
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine
SMILESCCN(CCN)N(CC)CCN
InChIInChI=1S/C8H22N4/c1-3-11(7-5-9)12(4-2)8-6-10/h3-10H2,1-2H3
InChIKeyDETHEPAIEYQKDA-UHFFFAOYSA-N
XLogP-0.54
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[diethylamino(ethyl)amino]propan-1-amine
CID 150305009
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
1,1,2-triethyl-2-propylhydrazine
CID 54254142
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 126661238
CID 172703845
CID 172703845
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine?
The IUPAC name of 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine (CID 56997319) is 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine.
What is the SMILES notation for 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine?
The canonical SMILES for 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine is CCN(CCN)N(CC)CCN.
What is the InChIKey of 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine?
The InChIKey is DETHEPAIEYQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-3-11(7-5-9)12(4-2)8-6-10/h3-10H2,1-2H3.
What are the key properties of 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine?
2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine has a molecular weight of 174.29 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine is sourced from PubChem (CID 56997319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).