1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine

C10H15N5O — CID 168601501

IUPAC1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1CCO
InChIInChI=1S/C10H15N5O/c11-9(12)15-10(13)14-8-4-2-1-3-7(8)5-6-16/h1-4,16H,5-6H2,(H6,11,12,13,14,15)
InChIKeyWGCADRBALFXMOZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.56
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine (PubChem CID 168601501) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
PubChem CID168601501
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1CCO
InChIInChI=1S/C10H15N5O/c11-9(12)15-10(13)14-8-4-2-1-3-7(8)5-6-16/h1-4,16H,5-6H2,(H6,11,12,13,14,15)
InChIKeyWGCADRBALFXMOZ-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
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'}

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Related Compounds

1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine
CID 168605760
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
CID 146317046
1-(diaminomethylidene)-2-[2-[(4-methylphenyl)methylsulfanyl]phenyl]guanidine
CID 168602053
1-(diaminomethylidene)-2-[2-(3-phenylpropoxy)phenyl]guanidine
CID 168602050
1-(diaminomethylidene)-2-(2-propanoylphenyl)guanidine
CID 168602691
1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
CID 168602475
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
CID 2730227
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;isocyanic acid
CID 176527766
1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
CID 168602724
2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
CID 11254455

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine (CID 168601501) is 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccccc1CCO.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine?
The InChIKey is WGCADRBALFXMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9(12)15-10(13)14-8-4-2-1-3-7(8)5-6-16/h1-4,16H,5-6H2,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine has a molecular weight of 221.26 g/mol, XLogP of -0.56, 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-(2-hydroxyethyl)phenyl]guanidine is sourced from PubChem (CID 168601501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).