N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine

C9H13N — CID 129313823

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C=C\C(=C/C)\N=C\C
InChIInChI=1S/C9H13N/c1-4-7-8-9(5-2)10-6-3/h4-8H,1H2,2-3H3/b8-7-,9-5+,10-6+
InChIKeyJUIIXNPOQNHPKI-ZRMMOYSKSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine (PubChem CID 129313823) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
PubChem CID129313823
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C=C\C(=C/C)\N=C\C
InChIInChI=1S/C9H13N/c1-4-7-8-9(5-2)10-6-3/h4-8H,1H2,2-3H3/b8-7-,9-5+,10-6+
InChIKeyJUIIXNPOQNHPKI-ZRMMOYSKSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine (CID 129313823) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine is C=C/C=C\C(=C/C)\N=C\C.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine?
The InChIKey is JUIIXNPOQNHPKI-ZRMMOYSKSA-N. The full InChI is InChI=1S/C9H13N/c1-4-7-8-9(5-2)10-6-3/h4-8H,1H2,2-3H3/b8-7-,9-5+,10-6+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine is sourced from PubChem (CID 129313823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).