N,N-bis(3,5-ditert-butylphenyl)hydroxylamine

C28H43NO — CID 58984158

IUPACN,N-bis(3,5-ditert-butylphenyl)hydroxylamine
SMILESCC(C)(C)c1cc(N(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43NO/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29(30)24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,30H,1-12H3
InChIKeyPVAHPFPXVFASLY-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.40
Rot. Bonds2

About N,N-bis(3,5-ditert-butylphenyl)hydroxylamine

N,N-bis(3,5-ditert-butylphenyl)hydroxylamine (PubChem CID 58984158) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is N,N-bis(3,5-ditert-butylphenyl)hydroxylamine.

Molecular Properties

Compound NameN,N-bis(3,5-ditert-butylphenyl)hydroxylamine
PubChem CID58984158
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC NameN,N-bis(3,5-ditert-butylphenyl)hydroxylamine
SMILESCC(C)(C)c1cc(N(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43NO/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29(30)24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,30H,1-12H3
InChIKeyPVAHPFPXVFASLY-UHFFFAOYSA-N
XLogP8.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,5-ditert-butylphenyl)hydroxylamine?
The IUPAC name of N,N-bis(3,5-ditert-butylphenyl)hydroxylamine (CID 58984158) is N,N-bis(3,5-ditert-butylphenyl)hydroxylamine.
What is the SMILES notation for N,N-bis(3,5-ditert-butylphenyl)hydroxylamine?
The canonical SMILES for N,N-bis(3,5-ditert-butylphenyl)hydroxylamine is CC(C)(C)c1cc(N(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of N,N-bis(3,5-ditert-butylphenyl)hydroxylamine?
The InChIKey is PVAHPFPXVFASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29(30)24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,30H,1-12H3.
What are the key properties of N,N-bis(3,5-ditert-butylphenyl)hydroxylamine?
N,N-bis(3,5-ditert-butylphenyl)hydroxylamine has a molecular weight of 409.66 g/mol, XLogP of 8.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,5-ditert-butylphenyl)hydroxylamine is sourced from PubChem (CID 58984158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).