(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium

C15H20N6O+2 — CID 142899596

IUPAC(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium
SMILESCOc1ccc([NH2+]/C(N)=[NH+]\C(N)=N\c2ccccc2)cc1N
InChIInChI=1S/C15H18N6O/c1-22-13-8-7-11(9-12(13)16)20-15(18)21-14(17)19-10-5-3-2-4-6-10/h2-9H,16H2,1H3,(H5,17,18,19,20,21)/p+2
InChIKeyPSKHOURYJNDHKK-UHFFFAOYSA-P
MW300.37 g/mol
LogP-1.49
Rot. Bonds3

About (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium

(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium (PubChem CID 142899596) has the molecular formula C15H20N6O+2 and a molecular weight of 300.37 g/mol. Its IUPAC name is (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium.

Molecular Properties

Compound Name(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium
PubChem CID142899596
Molecular FormulaC15H20N6O+2
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium
SMILESCOc1ccc([NH2+]/C(N)=[NH+]\C(N)=N\c2ccccc2)cc1N
InChIInChI=1S/C15H18N6O/c1-22-13-8-7-11(9-12(13)16)20-15(18)21-14(17)19-10-5-3-2-4-6-10/h2-9H,16H2,1H3,(H5,17,18,19,20,21)/p+2
InChIKeyPSKHOURYJNDHKK-UHFFFAOYSA-P
XLogP-1.49
TPSA130.23 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium?
The IUPAC name of (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium (CID 142899596) is (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium.
What is the SMILES notation for (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium?
The canonical SMILES for (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium is COc1ccc([NH2+]/C(N)=[NH+]\C(N)=N\c2ccccc2)cc1N.
What is the InChIKey of (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium?
The InChIKey is PSKHOURYJNDHKK-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H18N6O/c1-22-13-8-7-11(9-12(13)16)20-15(18)21-14(17)19-10-5-3-2-4-6-10/h2-9H,16H2,1H3,(H5,17,18,19,20,21)/p+2.
What are the key properties of (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium?
(Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium has a molecular weight of 300.37 g/mol, XLogP of -1.49, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[amino-[(3-amino-4-methoxyphenyl)azaniumyl]methylidene]-(N'-phenylcarbamimidoyl)azanium is sourced from PubChem (CID 142899596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).