[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium

C10H17N5O+2 — CID 4985896

IUPAC[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C/[NH+]=C(\N)[NH+]=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)/p+2
InChIKeyKLULAEAPTZQZMV-UHFFFAOYSA-P
MW223.28 g/mol
LogP-4.06
Rot. Bonds3

About [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium

[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 4985896) has the molecular formula C10H17N5O+2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium
PubChem CID4985896
Molecular FormulaC10H17N5O+2
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C/[NH+]=C(\N)[NH+]=C(N)N)cc1
InChIInChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)/p+2
InChIKeyKLULAEAPTZQZMV-UHFFFAOYSA-P
XLogP-4.06
TPSA115.23 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-4.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methanol
CID 7738
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
CID 3601249
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
5-(4-methoxyphenyl)pentanamide
CID 134389506
CID 175604529
CID 175604529

Frequently Asked Questions

What is the IUPAC name of [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium (CID 4985896) is [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C/[NH+]=C(\N)[NH+]=C(N)N)cc1.
What is the InChIKey of [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is KLULAEAPTZQZMV-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)/p+2.
What are the key properties of [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium?
[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 223.28 g/mol, XLogP of -4.06, 3 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4985896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).