2-[1-(4-hydroxyphenyl)propylideneamino]guanidine

C10H14N4O — CID 3526910

IUPAC2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1ccc(O)cc1
InChIInChI=1S/C10H14N4O/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H4,11,12,14)
InChIKeyCHRUDQIWDSOYRN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.78
Rot. Bonds3

About 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine

2-[1-(4-hydroxyphenyl)propylideneamino]guanidine (PubChem CID 3526910) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
PubChem CID3526910
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1ccc(O)cc1
InChIInChI=1S/C10H14N4O/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H4,11,12,14)
InChIKeyCHRUDQIWDSOYRN-UHFFFAOYSA-N
XLogP0.78
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine?
The IUPAC name of 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine (CID 3526910) is 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine is CCC(=NN=C(N)N)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine?
The InChIKey is CHRUDQIWDSOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H4,11,12,14).
What are the key properties of 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine?
2-[1-(4-hydroxyphenyl)propylideneamino]guanidine has a molecular weight of 206.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)propylideneamino]guanidine is sourced from PubChem (CID 3526910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).