N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine

C14H16N2 — CID 175480907

IUPACN-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
SMILESC=CC=C(/N=C/C=C)C(=CC=C)/N=C/C=C
InChIInChI=1S/C14H16N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H2/b13-9?,14-10?,15-11+,16-12+
InChIKeyGCFZRQYHUNVLNR-MYCHPOFLSA-N
MW212.30 g/mol
LogP3.64
Rot. Bonds7

About N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine

N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine (PubChem CID 175480907) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
PubChem CID175480907
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
SMILESC=CC=C(/N=C/C=C)C(=CC=C)/N=C/C=C
InChIInChI=1S/C14H16N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H2/b13-9?,14-10?,15-11+,16-12+
InChIKeyGCFZRQYHUNVLNR-MYCHPOFLSA-N
XLogP3.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.64
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

prop-2-enylidenecarbamic acid
CID 175459397
1-methyl-3-prop-2-enylideneurea
CID 91455060
[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
CID 171733590
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959
N-(prop-2-enylideneamino)prop-2-en-1-imine
CID 88828746
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
CID 142031575
(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
CID 170195275
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
CID 156869327

Frequently Asked Questions

What is the IUPAC name of N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine?
The IUPAC name of N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine (CID 175480907) is N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine?
The canonical SMILES for N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine is C=CC=C(/N=C/C=C)C(=CC=C)/N=C/C=C.
What is the InChIKey of N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine?
The InChIKey is GCFZRQYHUNVLNR-MYCHPOFLSA-N. The full InChI is InChI=1S/C14H16N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H2/b13-9?,14-10?,15-11+,16-12+.
What are the key properties of N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine?
N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine has a molecular weight of 212.30 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine is sourced from PubChem (CID 175480907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).