(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine

C12H20N2 — CID 134594130

IUPAC(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine
SMILESC/C=C\C=N\C(C)=C(\C=N\C)CCC
InChIInChI=1S/C12H20N2/c1-5-7-9-14-11(3)12(8-6-2)10-13-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-,12-11+,13-10+,14-9+
InChIKeyBVUSARIUCCJAFM-AFEKIENZSA-N
MW192.31 g/mol
LogP3.41
Rot. Bonds5

About (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine

(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine (PubChem CID 134594130) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine.

Molecular Properties

Compound Name(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine
PubChem CID134594130
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine
SMILESC/C=C\C=N\C(C)=C(\C=N\C)CCC
InChIInChI=1S/C12H20N2/c1-5-7-9-14-11(3)12(8-6-2)10-13-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-,12-11+,13-10+,14-9+
InChIKeyBVUSARIUCCJAFM-AFEKIENZSA-N
XLogP3.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.41
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 (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine?
The IUPAC name of (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine (CID 134594130) is (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine.
What is the SMILES notation for (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine?
The canonical SMILES for (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine is C/C=C\C=N\C(C)=C(\C=N\C)CCC.
What is the InChIKey of (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine?
The InChIKey is BVUSARIUCCJAFM-AFEKIENZSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-9-14-11(3)12(8-6-2)10-13-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-,12-11+,13-10+,14-9+.
What are the key properties of (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine?
(2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine has a molecular weight of 192.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[[(Z)-but-2-enylidene]amino]ethylidene]-N-methylpentan-1-imine is sourced from PubChem (CID 134594130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).