N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine

C13H20N2 — CID 123613234

IUPACN-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine
SMILESC=C(C=CC)N1CCC/C(=N\CC)C1=C
InChIInChI=1S/C13H20N2/c1-5-8-11(3)15-10-7-9-13(12(15)4)14-6-2/h5,8H,3-4,6-7,9-10H2,1-2H3/b8-5?,14-13+
InChIKeyAASIYLCBENOFNC-YHAVXVBKSA-N
MW204.32 g/mol
LogP3.15
Rot. Bonds3

About N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine

N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine (PubChem CID 123613234) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine
PubChem CID123613234
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine
SMILESC=C(C=CC)N1CCC/C(=N\CC)C1=C
InChIInChI=1S/C13H20N2/c1-5-8-11(3)15-10-7-9-13(12(15)4)14-6-2/h5,8H,3-4,6-7,9-10H2,1-2H3/b8-5?,14-13+
InChIKeyAASIYLCBENOFNC-YHAVXVBKSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.15
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

[3-(4-Fluorocyclohexa-1,5-dien-1-yl)imino-1-methylpiperidin-2-ylidene]methanamine
CID 173753363
4-diazo-N,N-dipentylcyclohexa-1,5-dien-1-amine
CID 20574591
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
1-methyl-3-methylidene-N-prop-1-en-2-ylpiperidin-4-imine
CID 134406810
(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
1-[(Z)-but-2-en-2-yl]piperidine;(E)-4-cyclohepta-1,6-dien-1-yl-3-ethyl-N-prop-1-en-2-ylhex-3-en-2-imine;ethane;hydrochloride
CID 141961249
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
CID 142084236
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432
1-(4-Diazocyclohexa-1,5-dien-1-yl)piperidine
CID 154116078
(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine
CID 167290552
(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine
CID 167290553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine?
The IUPAC name of N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine (CID 123613234) is N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine.
What is the SMILES notation for N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine?
The canonical SMILES for N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine is C=C(C=CC)N1CCC/C(=N\CC)C1=C.
What is the InChIKey of N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine?
The InChIKey is AASIYLCBENOFNC-YHAVXVBKSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-8-11(3)15-10-7-9-13(12(15)4)14-6-2/h5,8H,3-4,6-7,9-10H2,1-2H3/b8-5?,14-13+.
What are the key properties of N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine?
N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine has a molecular weight of 204.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine is sourced from PubChem (CID 123613234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).