(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine

C12H20N2 — CID 167154921

IUPAC(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine
SMILESC/C=C\C(C)=C\C=N\C=C/N(C)CC
InChIInChI=1S/C12H20N2/c1-5-7-12(3)8-9-13-10-11-14(4)6-2/h5,7-11H,6H2,1-4H3/b7-5-,11-10-,12-8+,13-9+
InChIKeyUTUZIQBFCFHKNI-YHAXIOQLSA-N
MW192.31 g/mol
LogP3.00
Rot. Bonds5

About (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine

(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine (PubChem CID 167154921) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine.

Molecular Properties

Compound Name(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine
PubChem CID167154921
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine
SMILESC/C=C\C(C)=C\C=N\C=C/N(C)CC
InChIInChI=1S/C12H20N2/c1-5-7-12(3)8-9-13-10-11-14(4)6-2/h5,7-11H,6H2,1-4H3/b7-5-,11-10-,12-8+,13-9+
InChIKeyUTUZIQBFCFHKNI-YHAXIOQLSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.00
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

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
Methanaminium, N-[5-(dimethylamino)-2,4-pentadienylidene]-N-methyl-
CID 17267
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium perchlorate
CID 24202117
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine
CID 163535079
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060
7-(Dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
CID 23278995
8-Dimethylamino-5-methyl-3,5,7-nonatrienylidenedimethylammonium iodide
CID 129808885
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
CID 134892281
[5-(Dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
CID 175687084
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine?
The IUPAC name of (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine (CID 167154921) is (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine.
What is the SMILES notation for (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine?
The canonical SMILES for (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine is C/C=C\C(C)=C\C=N\C=C/N(C)CC.
What is the InChIKey of (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine?
The InChIKey is UTUZIQBFCFHKNI-YHAXIOQLSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-12(3)8-9-13-10-11-14(4)6-2/h5,7-11H,6H2,1-4H3/b7-5-,11-10-,12-8+,13-9+.
What are the key properties of (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine?
(Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine has a molecular weight of 192.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-methyl-2-[[(2E,4Z)-3-methylhexa-2,4-dienylidene]amino]ethenamine is sourced from PubChem (CID 167154921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).