2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine

C17H23N3O — CID 14895997

IUPAC2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine
SMILESN/C(=N\C12CC3CC(CC(C3)C1)C2)Nc1ccc(O)cc1
InChIInChI=1S/C17H23N3O/c18-16(19-14-1-3-15(21)4-2-14)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2,(H3,18,19,20)
InChIKeyMSTAEUUYSNEQPB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds2

About 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine

2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine (PubChem CID 14895997) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine
PubChem CID14895997
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine
SMILESN/C(=N\C12CC3CC(CC(C3)C1)C2)Nc1ccc(O)cc1
InChIInChI=1S/C17H23N3O/c18-16(19-14-1-3-15(21)4-2-14)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2,(H3,18,19,20)
InChIKeyMSTAEUUYSNEQPB-UHFFFAOYSA-N
XLogP3.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine?
The IUPAC name of 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine (CID 14895997) is 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine.
What is the SMILES notation for 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine?
The canonical SMILES for 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine is N/C(=N\C12CC3CC(CC(C3)C1)C2)Nc1ccc(O)cc1.
What is the InChIKey of 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine?
The InChIKey is MSTAEUUYSNEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-16(19-14-1-3-15(21)4-2-14)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,21H,5-10H2,(H3,18,19,20).
What are the key properties of 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine?
2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine has a molecular weight of 285.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(4-hydroxyphenyl)guanidine is sourced from PubChem (CID 14895997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).