N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine

C12H18N2 — CID 89207277

IUPACN-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
SMILESC/C=C\C(\N=C\C)=C(/C=C\C)\N=C\C
InChIInChI=1S/C12H18N2/c1-5-9-11(13-7-3)12(10-6-2)14-8-4/h5-10H,1-4H3/b9-5-,10-6-,12-11-,13-7+,14-8+
InChIKeyRODJMRDMNGZQAM-NJSFJQDYSA-N
MW190.29 g/mol
LogP3.53
Rot. Bonds4

About N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine

N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine (PubChem CID 89207277) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
PubChem CID89207277
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
SMILESC/C=C\C(\N=C\C)=C(/C=C\C)\N=C\C
InChIInChI=1S/C12H18N2/c1-5-9-11(13-7-3)12(10-6-2)14-8-4/h5-10H,1-4H3/b9-5-,10-6-,12-11-,13-7+,14-8+
InChIKeyRODJMRDMNGZQAM-NJSFJQDYSA-N
XLogP3.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-octa-2,4,6-trien-3-yl]ethanimine
CID 156898609
N-[4,5,6,7,8,9,10,11,12,13-deca(ethylidene)hexadeca-2,14-dien-3-yl]ethanimine
CID 141245832
N-ethylideneacetamide
CID 21338179
(3Z,5Z)-4-(methylideneamino)hepta-1,3,5-triene-3-thiol
CID 143498484
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
hepta-2,5-dien-4-one
CID 54179619
(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine
CID 167219855
N-ethylidene-N'-methylethanimidamide
CID 58796711
(E)-N'-aminobut-2-enimidamide
CID 142083872
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-methyldodec-2-en-4-imine
CID 123853785
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine (CID 89207277) is N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine is C/C=C\C(\N=C\C)=C(/C=C\C)\N=C\C.
What is the InChIKey of N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine?
The InChIKey is RODJMRDMNGZQAM-NJSFJQDYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-9-11(13-7-3)12(10-6-2)14-8-4/h5-10H,1-4H3/b9-5-,10-6-,12-11-,13-7+,14-8+.
What are the key properties of N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine?
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine has a molecular weight of 190.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine is sourced from PubChem (CID 89207277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).