1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine

C10H15N5O — CID 10013772

IUPAC1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1ccc(O)cc1
InChIInChI=1S/C10H15N5O/c11-9(12)15-10(13)14-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H6,11,12,13,14,15)
InChIKeyPQASMWYEXAKHKQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.48
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine (PubChem CID 10013772) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine
PubChem CID10013772
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1ccc(O)cc1
InChIInChI=1S/C10H15N5O/c11-9(12)15-10(13)14-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H6,11,12,13,14,15)
InChIKeyPQASMWYEXAKHKQ-UHFFFAOYSA-N
XLogP-0.48
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine (CID 10013772) is 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine is NC(N)=N/C(N)=N/CCc1ccc(O)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine?
The InChIKey is PQASMWYEXAKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9(12)15-10(13)14-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine has a molecular weight of 221.26 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine is sourced from PubChem (CID 10013772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).