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

C10H15N — CID 156898609

IUPACN-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine
SMILESCC=C/C=C\C(=C/C)\N=C\C
InChIInChI=1S/C10H15N/c1-4-7-8-9-10(5-2)11-6-3/h4-9H,1-3H3/b7-4?,9-8-,10-5+,11-6+
InChIKeyZRCBMUNJHIYCQL-HKVWSSROSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

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

N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine (PubChem CID 156898609) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine
PubChem CID156898609
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine
SMILESCC=C/C=C\C(=C/C)\N=C\C
InChIInChI=1S/C10H15N/c1-4-7-8-9-10(5-2)11-6-3/h4-9H,1-3H3/b7-4?,9-8-,10-5+,11-6+
InChIKeyZRCBMUNJHIYCQL-HKVWSSROSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
CID 129313823
(4E)-hexa-2,4-diene
CID 22435466
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
CID 166663720
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine
CID 156544011
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine (CID 156898609) is N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine is CC=C/C=C\C(=C/C)\N=C\C.
What is the InChIKey of N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine?
The InChIKey is ZRCBMUNJHIYCQL-HKVWSSROSA-N. The full InChI is InChI=1S/C10H15N/c1-4-7-8-9-10(5-2)11-6-3/h4-9H,1-3H3/b7-4?,9-8-,10-5+,11-6+.
What are the key properties of N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine?
N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine is sourced from PubChem (CID 156898609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).