acetic acid;N',N'-diethylethane-1,2-diamine

C14H32N2O8 — CID 175226296

IUPACacetic acid;N',N'-diethylethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCN(CC)CCN
InChIInChI=1S/C6H16N2.4C2H4O2/c1-3-8(4-2)6-5-7;4*1-2(3)4/h3-7H2,1-2H3;4*1H3,(H,3,4)
InChIKeyHNRGTIYQUJUVTM-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.65
Rot. Bonds4

About acetic acid;N',N'-diethylethane-1,2-diamine

acetic acid;N',N'-diethylethane-1,2-diamine (PubChem CID 175226296) has the molecular formula C14H32N2O8 and a molecular weight of 356.42 g/mol. Its IUPAC name is acetic acid;N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N',N'-diethylethane-1,2-diamine
PubChem CID175226296
Molecular FormulaC14H32N2O8
Molecular Weight356.42 g/mol
Exact Mass356.22
IUPAC Nameacetic acid;N',N'-diethylethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCN(CC)CCN
InChIInChI=1S/C6H16N2.4C2H4O2/c1-3-8(4-2)6-5-7;4*1-2(3)4/h3-7H2,1-2H3;4*1H3,(H,3,4)
InChIKeyHNRGTIYQUJUVTM-UHFFFAOYSA-N
XLogP0.65
TPSA178.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate
CID 87289992
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride
CID 173414651
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
3-[2-aminoethyl(ethyl)amino]-N,N-dimethylpropanamide
CID 61351237
CID 172703845
CID 172703845
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
acetic acid;azane;propan-1-amine
CID 22269600
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284

Frequently Asked Questions

What is the IUPAC name of acetic acid;N',N'-diethylethane-1,2-diamine?
The IUPAC name of acetic acid;N',N'-diethylethane-1,2-diamine (CID 175226296) is acetic acid;N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for acetic acid;N',N'-diethylethane-1,2-diamine?
The canonical SMILES for acetic acid;N',N'-diethylethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCN(CC)CCN.
What is the InChIKey of acetic acid;N',N'-diethylethane-1,2-diamine?
The InChIKey is HNRGTIYQUJUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.4C2H4O2/c1-3-8(4-2)6-5-7;4*1-2(3)4/h3-7H2,1-2H3;4*1H3,(H,3,4).
What are the key properties of acetic acid;N',N'-diethylethane-1,2-diamine?
acetic acid;N',N'-diethylethane-1,2-diamine has a molecular weight of 356.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 175226296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).