N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine

C15H19NS — CID 170219466

IUPACN-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine
SMILESC/C=C\c1sc(/C=C\C)c(/N=C/C)c1/C=C\C
InChIInChI=1S/C15H19NS/c1-5-9-12-13(10-6-2)17-14(11-7-3)15(12)16-8-4/h5-11H,1-4H3/b9-5-,10-6-,11-7-,16-8+
InChIKeyUYOHBXBODQHQKA-HRGQNMGGSA-N
MW245.39 g/mol
LogP5.57
Rot. Bonds4

About N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine

N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine (PubChem CID 170219466) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine
PubChem CID170219466
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine
SMILESC/C=C\c1sc(/C=C\C)c(/N=C/C)c1/C=C\C
InChIInChI=1S/C15H19NS/c1-5-9-12-13(10-6-2)17-14(11-7-3)15(12)16-8-4/h5-11H,1-4H3/b9-5-,10-6-,11-7-,16-8+
InChIKeyUYOHBXBODQHQKA-HRGQNMGGSA-N
XLogP5.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.39
LogP ≤ 55.57
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-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine?
The IUPAC name of N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine (CID 170219466) is N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine.
What is the SMILES notation for N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine?
The canonical SMILES for N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine is C/C=C\c1sc(/C=C\C)c(/N=C/C)c1/C=C\C.
What is the InChIKey of N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine?
The InChIKey is UYOHBXBODQHQKA-HRGQNMGGSA-N. The full InChI is InChI=1S/C15H19NS/c1-5-9-12-13(10-6-2)17-14(11-7-3)15(12)16-8-4/h5-11H,1-4H3/b9-5-,10-6-,11-7-,16-8+.
What are the key properties of N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine?
N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine has a molecular weight of 245.39 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4,5-tris[(Z)-prop-1-enyl]thiophen-3-yl]ethanimine is sourced from PubChem (CID 170219466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).