(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine

C16H22N2 — CID 143866486

IUPAC(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
SMILESC=C/C=C1\C(=C)CCN(CC)C1/C=C/C=N/C=C
InChIInChI=1S/C16H22N2/c1-5-9-15-14(4)11-13-18(7-3)16(15)10-8-12-17-6-2/h5-6,8-10,12,16H,1-2,4,7,11,13H2,3H3/b10-8+,15-9+,17-12+
InChIKeyYEFWHKWBVWREHG-OUBBGPHXSA-N
MW242.37 g/mol
LogP3.52
Rot. Bonds5

About (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine

(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine (PubChem CID 143866486) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
PubChem CID143866486
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
SMILESC=C/C=C1\C(=C)CCN(CC)C1/C=C/C=N/C=C
InChIInChI=1S/C16H22N2/c1-5-9-15-14(4)11-13-18(7-3)16(15)10-8-12-17-6-2/h5-6,8-10,12,16H,1-2,4,7,11,13H2,3H3/b10-8+,15-9+,17-12+
InChIKeyYEFWHKWBVWREHG-OUBBGPHXSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-3-fluoro-2-methyl-5-methylidene-6-(4-methyl-4-prop-2-enylpiperidin-1-yl)-2H-azocine
CID 166670902
N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
CID 91253432
1-[(3E,4E)-3-(2-cyclohexa-1,5-dien-1-yl-2-ethenyliminoethylidene)hepta-4,6-dien-2-yl]-N,N-diethylpiperidin-4-amine
CID 117611664
5-(piperidin-1-ylmethyl)-4H-azepine
CID 123405058
1-ethenyl-N-methyl-N-[3-(2-methylpent-1-enyliminomethyl)buta-1,3-dienyl]piperidin-4-amine
CID 123489930
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
(4Z)-N,N-diethyl-4-[(E)-1-(ethylideneamino)prop-1-enyl]hepta-4,6-dien-3-amine
CID 134526711
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
N,N-dipropyl-5,6-dihydrocyclopenta[f]isoindol-6-amine
CID 140994193
(2E,5E,7E,9Z)-N-ethenyl-6,7-diethyl-3-methyl-2-piperidin-1-yldodeca-2,5,7,9,11-pentaen-4-imine;methane
CID 141961098
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
CID 142084236

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine (CID 143866486) is (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine is C=C/C=C1\C(=C)CCN(CC)C1/C=C/C=N/C=C.
What is the InChIKey of (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine?
The InChIKey is YEFWHKWBVWREHG-OUBBGPHXSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-9-15-14(4)11-13-18(7-3)16(15)10-8-12-17-6-2/h5-6,8-10,12,16H,1-2,4,7,11,13H2,3H3/b10-8+,15-9+,17-12+.
What are the key properties of (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine?
(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine has a molecular weight of 242.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 143866486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).