[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium

C10H17N4O2+ — CID 156641865

IUPAC[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C=C)CC(=O)OCCN=C(N)N
InChIInChI=1S/C10H17N4O2/c1-3-6-14(4-2)8-9(15)16-7-5-13-10(11)12/h3-4,6H,1-2,5,7-8H2,(H4,11,12,13)/q+1/b14-6+
InChIKeyGDDDODNCHRGYTR-MKMNVTDBSA-N
MW225.27 g/mol
LogP-0.78
Rot. Bonds7

About [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium

[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium (PubChem CID 156641865) has the molecular formula C10H17N4O2+ and a molecular weight of 225.27 g/mol. Its IUPAC name is [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium.

Molecular Properties

Compound Name[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium
PubChem CID156641865
Molecular FormulaC10H17N4O2+
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C=C)CC(=O)OCCN=C(N)N
InChIInChI=1S/C10H17N4O2/c1-3-6-14(4-2)8-9(15)16-7-5-13-10(11)12/h3-4,6H,1-2,5,7-8H2,(H4,11,12,13)/q+1/b14-6+
InChIKeyGDDDODNCHRGYTR-MKMNVTDBSA-N
XLogP-0.78
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1,4-diazepin-1-yl)acetate
CID 141158323

Frequently Asked Questions

What is the IUPAC name of [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium?
The IUPAC name of [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium (CID 156641865) is [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium.
What is the SMILES notation for [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium?
The canonical SMILES for [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium is C=C/C=[N+](\C=C)CC(=O)OCCN=C(N)N.
What is the InChIKey of [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium?
The InChIKey is GDDDODNCHRGYTR-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H17N4O2/c1-3-6-14(4-2)8-9(15)16-7-5-13-10(11)12/h3-4,6H,1-2,5,7-8H2,(H4,11,12,13)/q+1/b14-6+.
What are the key properties of [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium?
[2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium has a molecular weight of 225.27 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diaminomethylideneamino)ethoxy]-2-oxoethyl]-ethenyl-prop-2-enylideneazanium is sourced from PubChem (CID 156641865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).