3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione

C10H16N2O3 — CID 155278234

IUPAC3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCc1c(N(C)CCOCCN)c(=O)c1=O
InChIInChI=1S/C10H16N2O3/c1-7-8(10(14)9(7)13)12(2)4-6-15-5-3-11/h3-6,11H2,1-2H3
InChIKeyJIJYPQXFTULXFD-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.00
Rot. Bonds6

About 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione

3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione (PubChem CID 155278234) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
PubChem CID155278234
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
SMILESCc1c(N(C)CCOCCN)c(=O)c1=O
InChIInChI=1S/C10H16N2O3/c1-7-8(10(14)9(7)13)12(2)4-6-15-5-3-11/h3-6,11H2,1-2H3
InChIKeyJIJYPQXFTULXFD-UHFFFAOYSA-N
XLogP-1.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminoethoxy)ethyl-methylamino]-4-tert-butylcyclobut-3-ene-1,2-dithione
CID 146475254
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-[4-aminobutyl(methyl)amino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 146475263
2-[2-[methanidyl(methyl)amino]ethoxy]ethanamine
CID 91305117
3-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dithione
CID 155278404
3-tert-butyl-4-[2-[2-(diethylamino)ethoxy]ethyl-methylamino]cyclobut-3-ene-1,2-dione
CID 153438729
3-tert-butyl-2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 146179633
3-[methyl-[2-[2-[methyl(propyl)amino]ethoxy]ethyl]amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 146179860
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621
2-(2-aminoethoxy)ethanamine;azane
CID 87273439

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione (CID 155278234) is 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione is Cc1c(N(C)CCOCCN)c(=O)c1=O.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
The InChIKey is JIJYPQXFTULXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-8(10(14)9(7)13)12(2)4-6-15-5-3-11/h3-6,11H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione?
3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione has a molecular weight of 212.25 g/mol, XLogP of -1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 155278234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).