2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol

C23H32N2O — CID 12970498

IUPAC2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol
SMILESCC(C)(C)/N=C/C(NC(C)(C)C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-21(2,3)24-17-20(25-22(4,5)6)23(26,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,25-26H,1-6H3/b24-17+
InChIKeyFYYOLXADNIJKEB-JJIBRWJFSA-N
MW352.52 g/mol
LogP4.55
Rot. Bonds5

About 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol

2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol (PubChem CID 12970498) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol
PubChem CID12970498
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol
SMILESCC(C)(C)/N=C/C(NC(C)(C)C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-21(2,3)24-17-20(25-22(4,5)6)23(26,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,25-26H,1-6H3/b24-17+
InChIKeyFYYOLXADNIJKEB-JJIBRWJFSA-N
XLogP4.55
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol?
The IUPAC name of 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol (CID 12970498) is 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol is CC(C)(C)/N=C/C(NC(C)(C)C)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol?
The InChIKey is FYYOLXADNIJKEB-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H32N2O/c1-21(2,3)24-17-20(25-22(4,5)6)23(26,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,25-26H,1-6H3/b24-17+.
What are the key properties of 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol?
2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol has a molecular weight of 352.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 12970498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).