N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine

C16H20N2 — CID 170194791

IUPACN-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
SMILESC/C=C\c1ccc(/C=C\C)c(/N=C/C)c1/N=C/C
InChIInChI=1S/C16H20N2/c1-5-9-13-11-12-14(10-6-2)16(18-8-4)15(13)17-7-3/h5-12H,1-4H3/b9-5-,10-6-,17-7+,18-8+
InChIKeyPZQGZXFFXLEROJ-LLMDQKGDSA-N
MW240.35 g/mol
LogP5.20
Rot. Bonds4

About N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine

N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine (PubChem CID 170194791) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine.

Molecular Properties

Compound NameN-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
PubChem CID170194791
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine
SMILESC/C=C\c1ccc(/C=C\C)c(/N=C/C)c1/N=C/C
InChIInChI=1S/C16H20N2/c1-5-9-13-11-12-14(10-6-2)16(18-8-4)15(13)17-7-3/h5-12H,1-4H3/b9-5-,10-6-,17-7+,18-8+
InChIKeyPZQGZXFFXLEROJ-LLMDQKGDSA-N
XLogP5.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.20
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-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine?
The IUPAC name of N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine (CID 170194791) is N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine.
What is the SMILES notation for N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine?
The canonical SMILES for N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine is C/C=C\c1ccc(/C=C\C)c(/N=C/C)c1/N=C/C.
What is the InChIKey of N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine?
The InChIKey is PZQGZXFFXLEROJ-LLMDQKGDSA-N. The full InChI is InChI=1S/C16H20N2/c1-5-9-13-11-12-14(10-6-2)16(18-8-4)15(13)17-7-3/h5-12H,1-4H3/b9-5-,10-6-,17-7+,18-8+.
What are the key properties of N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine?
N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine has a molecular weight of 240.35 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylideneamino)-3,6-bis[(Z)-prop-1-enyl]phenyl]ethanimine is sourced from PubChem (CID 170194791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).