N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine

C12H17NO — CID 137379813

IUPACN-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine
SMILESC=N/C(=c1/cco/c1=C/C)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-6-10-9(7-8-14-10)11(13-5)12(2,3)4/h6-8H,5H2,1-4H3/b10-6+,11-9-
InChIKeyPHMSFKXMUJCIFK-QCOLZXCRSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds1

About N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine

N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine (PubChem CID 137379813) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine
PubChem CID137379813
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine
SMILESC=N/C(=c1/cco/c1=C/C)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-6-10-9(7-8-14-10)11(13-5)12(2,3)4/h6-8H,5H2,1-4H3/b10-6+,11-9-
InChIKeyPHMSFKXMUJCIFK-QCOLZXCRSA-N
XLogP1.93
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine?
The IUPAC name of N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine (CID 137379813) is N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine?
The canonical SMILES for N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine is C=N/C(=c1/cco/c1=C/C)C(C)(C)C.
What is the InChIKey of N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine?
The InChIKey is PHMSFKXMUJCIFK-QCOLZXCRSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-10-9(7-8-14-10)11(13-5)12(2,3)4/h6-8H,5H2,1-4H3/b10-6+,11-9-.
What are the key properties of N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine?
N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine has a molecular weight of 191.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(2E)-2-ethylidenefuran-3-ylidene]-2,2-dimethylpropyl]methanimine is sourced from PubChem (CID 137379813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).