(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine

C13H18N2 — CID 142084236

IUPAC(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
SMILESC=C=C1CCN(/C(C=C)=C/C=N/C)CC1
InChIInChI=1S/C13H18N2/c1-4-12-7-10-15(11-8-12)13(5-2)6-9-14-3/h5-6,9H,1-2,7-8,10-11H2,3H3/b13-6+,14-9+
InChIKeySPEJUBSWYWEBHW-SJRHNVSNSA-N
MW202.30 g/mol
LogP2.56
Rot. Bonds3

About (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine

(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine (PubChem CID 142084236) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
PubChem CID142084236
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
SMILESC=C=C1CCN(/C(C=C)=C/C=N/C)CC1
InChIInChI=1S/C13H18N2/c1-4-12-7-10-15(11-8-12)13(5-2)6-9-14-3/h5-6,9H,1-2,7-8,10-11H2,3H3/b13-6+,14-9+
InChIKeySPEJUBSWYWEBHW-SJRHNVSNSA-N
XLogP2.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.56
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-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine
CID 123613234
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
(E)-2-ethenyl-4-methylimino-N-[(E)-piperidin-2-ylidenemethyl]but-2-en-1-amine
CID 141944458
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
ethane;N-[5-ethenyl-2-methyl-7-(1-methylpiperidin-4-ylidene)-6-[(Z)-prop-1-enyl]cyclohepta-1,5-dien-1-yl]prop-2-en-1-imine
CID 142087461
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
CID 143866486
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridin-1-ium
CID 144727159
N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine
CID 170073666
(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
CID 170342421
1-[(2H-Pyrrol-2-ylidene)methyl]piperidine
CID 71352957

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine (CID 142084236) is (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine is C=C=C1CCN(/C(C=C)=C/C=N/C)CC1.
What is the InChIKey of (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine?
The InChIKey is SPEJUBSWYWEBHW-SJRHNVSNSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-12-7-10-15(11-8-12)13(5-2)6-9-14-3/h5-6,9H,1-2,7-8,10-11H2,3H3/b13-6+,14-9+.
What are the key properties of (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine?
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine has a molecular weight of 202.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142084236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).