1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine

C21H34N2 — CID 123788588

IUPAC1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine
SMILESC=C1C(=CC(=CC)C(C)C=CC(C)=CC)C(NC)CCN1CC
InChIInChI=1S/C21H34N2/c1-8-16(4)11-12-17(5)19(9-2)15-20-18(6)23(10-3)14-13-21(20)22-7/h8-9,11-12,15,17,21-22H,6,10,13-14H2,1-5,7H3
InChIKeyJFVVGYGXZZYBPF-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.84
Rot. Bonds6

About 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine

1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine (PubChem CID 123788588) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine
PubChem CID123788588
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine
SMILESC=C1C(=CC(=CC)C(C)C=CC(C)=CC)C(NC)CCN1CC
InChIInChI=1S/C21H34N2/c1-8-16(4)11-12-17(5)19(9-2)15-20-18(6)23(10-3)14-13-21(20)22-7/h8-9,11-12,15,17,21-22H,6,10,13-14H2,1-5,7H3
InChIKeyJFVVGYGXZZYBPF-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine with MolForge

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Related Compounds

6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
N-[(5Z,6E)-3-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085353
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 144808707
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
N-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-3-yl]-3-fluoro-1-methylpiperidin-4-amine
CID 154999657
(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
CID 165397845
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine?
The IUPAC name of 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine (CID 123788588) is 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine.
What is the SMILES notation for 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine?
The canonical SMILES for 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine is C=C1C(=CC(=CC)C(C)C=CC(C)=CC)C(NC)CCN1CC.
What is the InChIKey of 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine?
The InChIKey is JFVVGYGXZZYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-8-16(4)11-12-17(5)19(9-2)15-20-18(6)23(10-3)14-13-21(20)22-7/h8-9,11-12,15,17,21-22H,6,10,13-14H2,1-5,7H3.
What are the key properties of 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine?
1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine has a molecular weight of 314.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine is sourced from PubChem (CID 123788588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).