(E)-N-tert-butyl-3-phenylprop-2-en-1-imine

C13H17N — CID 10489303

IUPAC(E)-N-tert-butyl-3-phenylprop-2-en-1-imine
SMILESCC(C)(C)/N=C/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-11H,1-3H3/b10-7+,14-11+
InChIKeyIGESIJYXZNNVSY-APBFJCRLSA-N
MW187.29 g/mol
LogP3.57
Rot. Bonds2

About (E)-N-tert-butyl-3-phenylprop-2-en-1-imine

(E)-N-tert-butyl-3-phenylprop-2-en-1-imine (PubChem CID 10489303) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-phenylprop-2-en-1-imine
PubChem CID10489303
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(E)-N-tert-butyl-3-phenylprop-2-en-1-imine
SMILESCC(C)(C)/N=C/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-11H,1-3H3/b10-7+,14-11+
InChIKeyIGESIJYXZNNVSY-APBFJCRLSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-N-tert-butyl-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-tert-butyl-3-phenylprop-2-en-1-imine (CID 10489303) is (E)-N-tert-butyl-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-tert-butyl-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-tert-butyl-3-phenylprop-2-en-1-imine is CC(C)(C)/N=C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-tert-butyl-3-phenylprop-2-en-1-imine?
The InChIKey is IGESIJYXZNNVSY-APBFJCRLSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-11H,1-3H3/b10-7+,14-11+.
What are the key properties of (E)-N-tert-butyl-3-phenylprop-2-en-1-imine?
(E)-N-tert-butyl-3-phenylprop-2-en-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 10489303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).