[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium

C8H19N7O2+2 — CID 102285882

IUPAC[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium
SMILESNC(N)=NC(C/[NH+]=C(/N)[NH3+])C(=O)N1CCCO1
InChIInChI=1S/C8H17N7O2/c9-7(10)13-4-5(14-8(11)12)6(16)15-2-1-3-17-15/h5H,1-4H2,(H4,9,10,13)(H4,11,12,14)/p+2
InChIKeyPOPODVBJRZKEFE-UHFFFAOYSA-P
MW245.29 g/mol
LogP-5.57
Rot. Bonds4

About [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium

[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium (PubChem CID 102285882) has the molecular formula C8H19N7O2+2 and a molecular weight of 245.29 g/mol. Its IUPAC name is [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium.

Molecular Properties

Compound Name[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium
PubChem CID102285882
Molecular FormulaC8H19N7O2+2
Molecular Weight245.29 g/mol
Exact Mass245.16
IUPAC Name[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium
SMILESNC(N)=NC(C/[NH+]=C(/N)[NH3+])C(=O)N1CCCO1
InChIInChI=1S/C8H17N7O2/c9-7(10)13-4-5(14-8(11)12)6(16)15-2-1-3-17-15/h5H,1-4H2,(H4,9,10,13)(H4,11,12,14)/p+2
InChIKeyPOPODVBJRZKEFE-UHFFFAOYSA-P
XLogP-5.57
TPSA161.57 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-5.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium with MolForge

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
CID 104908986
(2S)-2-(dimethylamino)-1-(oxazinan-2-yl)propan-1-one
CID 130734949
[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
CID 89428474
(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 104984760
2-cyclohexyl-1-(1,2-oxazolidin-2-yl)ethanone
CID 14580111
(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
CID 104671096
1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea
CID 130605339
1,2-oxazolidin-2-yl-[(2S)-piperidin-2-yl]methanone
CID 104914649
[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone
CID 130734831
1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 102738612
(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
CID 130736223
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 113375553

Frequently Asked Questions

What is the IUPAC name of [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium?
The IUPAC name of [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium (CID 102285882) is [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium.
What is the SMILES notation for [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium?
The canonical SMILES for [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium is NC(N)=NC(C/[NH+]=C(/N)[NH3+])C(=O)N1CCCO1.
What is the InChIKey of [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium?
The InChIKey is POPODVBJRZKEFE-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H17N7O2/c9-7(10)13-4-5(14-8(11)12)6(16)15-2-1-3-17-15/h5H,1-4H2,(H4,9,10,13)(H4,11,12,14)/p+2.
What are the key properties of [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium?
[amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium has a molecular weight of 245.29 g/mol, XLogP of -5.57, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(azaniumyl)methylidene]-[2-(diaminomethylideneamino)-3-(1,2-oxazolidin-2-yl)-3-oxopropyl]azanium is sourced from PubChem (CID 102285882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).