N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline

C14H20N2O — CID 12720280

IUPACN-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline
SMILESCC1(C)C/C(=N\Nc2ccccc2)C(C)(C)O1
InChIInChI=1S/C14H20N2O/c1-13(2)10-12(14(3,4)17-13)16-15-11-8-6-5-7-9-11/h5-9,15H,10H2,1-4H3/b16-12+
InChIKeyKTDJUXCLZGLHBB-FOWTUZBSSA-N
MW232.33 g/mol
LogP3.43
Rot. Bonds2

About N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline

N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline (PubChem CID 12720280) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline.

Molecular Properties

Compound NameN-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline
PubChem CID12720280
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline
SMILESCC1(C)C/C(=N\Nc2ccccc2)C(C)(C)O1
InChIInChI=1S/C14H20N2O/c1-13(2)10-12(14(3,4)17-13)16-15-11-8-6-5-7-9-11/h5-9,15H,10H2,1-4H3/b16-12+
InChIKeyKTDJUXCLZGLHBB-FOWTUZBSSA-N
XLogP3.43
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline?
The IUPAC name of N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline (CID 12720280) is N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline.
What is the SMILES notation for N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline?
The canonical SMILES for N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline is CC1(C)C/C(=N\Nc2ccccc2)C(C)(C)O1.
What is the InChIKey of N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline?
The InChIKey is KTDJUXCLZGLHBB-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-13(2)10-12(14(3,4)17-13)16-15-11-8-6-5-7-9-11/h5-9,15H,10H2,1-4H3/b16-12+.
What are the key properties of N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline?
N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline has a molecular weight of 232.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,2,5,5-tetramethyloxolan-3-ylidene)amino]aniline is sourced from PubChem (CID 12720280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).