(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine

C12H16N2 — CID 134096569

IUPAC(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
SMILESC/C=N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16N2/c1-4-13-14-9-11-5-7-12(8-6-11)10(2)3/h4-10H,1-3H3/b13-4+,14-9+
InChIKeyGHQFQKAUAHSJIG-ZFTQYTBPSA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds3

About (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine

(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine (PubChem CID 134096569) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
PubChem CID134096569
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
SMILESC/C=N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16N2/c1-4-13-14-9-11-5-7-12(8-6-11)10(2)3/h4-10H,1-3H3/b13-4+,14-9+
InChIKeyGHQFQKAUAHSJIG-ZFTQYTBPSA-N
XLogP3.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine?
The IUPAC name of (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine (CID 134096569) is (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine.
What is the SMILES notation for (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine?
The canonical SMILES for (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine is C/C=N/N=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine?
The InChIKey is GHQFQKAUAHSJIG-ZFTQYTBPSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-13-14-9-11-5-7-12(8-6-11)10(2)3/h4-10H,1-3H3/b13-4+,14-9+.
What are the key properties of (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine?
(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine has a molecular weight of 188.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine is sourced from PubChem (CID 134096569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).