[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium

C8H22N4O+2 — CID 58534602

IUPAC[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium
SMILESCOCCN/C(N)=[NH+]/CCCC[NH3+]
InChIInChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12)/p+2
InChIKeySJQJFADASWPDIQ-UHFFFAOYSA-P
MW190.29 g/mol
LogP-3.36
Rot. Bonds7

About [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium

[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium (PubChem CID 58534602) has the molecular formula C8H22N4O+2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium.

Molecular Properties

Compound Name[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium
PubChem CID58534602
Molecular FormulaC8H22N4O+2
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium
SMILESCOCCN/C(N)=[NH+]/CCCC[NH3+]
InChIInChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12)/p+2
InChIKeySJQJFADASWPDIQ-UHFFFAOYSA-P
XLogP-3.36
TPSA88.89 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-3.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium?
The IUPAC name of [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium (CID 58534602) is [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium.
What is the SMILES notation for [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium?
The canonical SMILES for [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium is COCCN/C(N)=[NH+]/CCCC[NH3+].
What is the InChIKey of [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium?
The InChIKey is SJQJFADASWPDIQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12)/p+2.
What are the key properties of [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium?
[amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium has a molecular weight of 190.29 g/mol, XLogP of -3.36, 7 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-methoxyethylamino)methylidene]-(4-azaniumylbutyl)azanium is sourced from PubChem (CID 58534602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).