2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid

C7H18N4O3 — CID 88526263

IUPAC2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
SMILESC=CC(=O)O.NC(N)COCC(N)N
InChIInChI=1S/C4H14N4O.C3H4O2/c5-3(6)1-9-2-4(7)8;1-2-3(4)5/h3-4H,1-2,5-8H2;2H,1H2,(H,4,5)
InChIKeyAUYAGGLGAZGWFQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP-2.25
Rot. Bonds5

About 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid

2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid (PubChem CID 88526263) has the molecular formula C7H18N4O3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid.

Molecular Properties

Compound Name2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
PubChem CID88526263
Molecular FormulaC7H18N4O3
Molecular Weight206.25 g/mol
Exact Mass206.14
IUPAC Name2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
SMILESC=CC(=O)O.NC(N)COCC(N)N
InChIInChI=1S/C4H14N4O.C3H4O2/c5-3(6)1-9-2-4(7)8;1-2-3(4)5/h3-4H,1-2,5-8H2;2H,1H2,(H,4,5)
InChIKeyAUYAGGLGAZGWFQ-UHFFFAOYSA-N
XLogP-2.25
TPSA150.61 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hydrazine;bis(prop-2-enoic acid)
CID 160974981
formic acid;bis(prop-2-enoic acid)
CID 88502966
ethene-1,2-diol;prop-2-enoic acid
CID 163501220
prop-2-enoic acid;pentahydrobromide
CID 172798031
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
prop-2-enoic acid;hydrochloride
CID 22354205
Acrylic acid potassium salt
CID 87124626
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid?
The IUPAC name of 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid (CID 88526263) is 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid.
What is the SMILES notation for 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid?
The canonical SMILES for 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid is C=CC(=O)O.NC(N)COCC(N)N.
What is the InChIKey of 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid?
The InChIKey is AUYAGGLGAZGWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4O.C3H4O2/c5-3(6)1-9-2-4(7)8;1-2-3(4)5/h3-4H,1-2,5-8H2;2H,1H2,(H,4,5).
What are the key properties of 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid?
2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid has a molecular weight of 206.25 g/mol, XLogP of -2.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid is sourced from PubChem (CID 88526263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).