N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline

C22H24N2 — CID 23015524

IUPACN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccccc2)CC=C1
InChIInChI=1S/C22H24N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h4-13,15-16,24H,14H2,1-3H3/b23-16+
InChIKeyMRJPXHHNPUBSLZ-XQNSMLJCSA-N
MW316.45 g/mol
LogP5.89
Rot. Bonds4

About N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline

N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline (PubChem CID 23015524) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
PubChem CID23015524
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
SMILESCC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccccc2)CC=C1
InChIInChI=1S/C22H24N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h4-13,15-16,24H,14H2,1-3H3/b23-16+
InChIKeyMRJPXHHNPUBSLZ-XQNSMLJCSA-N
XLogP5.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline (CID 23015524) is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline is CC(C)(C)C1=C(c2ccccc2/C=N/Nc2ccccc2)CC=C1.
What is the InChIKey of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The InChIKey is MRJPXHHNPUBSLZ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H24N2/c1-22(2,3)21-15-9-14-20(21)19-13-8-7-10-17(19)16-23-24-18-11-5-4-6-12-18/h4-13,15-16,24H,14H2,1-3H3/b23-16+.
What are the key properties of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline has a molecular weight of 316.45 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 23015524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).