N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide

C15H25N3O2 — CID 135400941

IUPACN'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(=N/N)NO)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25N3O2/c1-14(2,3)10-7-9(13(17-16)18-20)8-11(12(10)19)15(4,5)6/h7-8,19-20H,16H2,1-6H3,(H,17,18)
InChIKeyWCPAPUGDFRYNRF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.59
Rot. Bonds1

About N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide

N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide (PubChem CID 135400941) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide
PubChem CID135400941
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(=N/N)NO)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25N3O2/c1-14(2,3)10-7-9(13(17-16)18-20)8-11(12(10)19)15(4,5)6/h7-8,19-20H,16H2,1-6H3,(H,17,18)
InChIKeyWCPAPUGDFRYNRF-UHFFFAOYSA-N
XLogP2.59
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide?
The IUPAC name of N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide (CID 135400941) is N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide?
The canonical SMILES for N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide is CC(C)(C)c1cc(/C(=N/N)NO)cc(C(C)(C)C)c1O.
What is the InChIKey of N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide?
The InChIKey is WCPAPUGDFRYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,3)10-7-9(13(17-16)18-20)8-11(12(10)19)15(4,5)6/h7-8,19-20H,16H2,1-6H3,(H,17,18).
What are the key properties of N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide?
N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,5-ditert-butyl-N,4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 135400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).