(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine

C25H36N2 — CID 134293562

IUPAC(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C(C=C)\C=C(/C)N/C(C)=C/C(=C\C(=C)C)C1(C(=C)C)CCNCC1
InChIInChI=1S/C25H36N2/c1-9-11-23(10-2)17-21(7)27-22(8)18-24(16-19(3)4)25(20(5)6)12-14-26-15-13-25/h9-11,16-18,26-27H,1-3,5,12-15H2,4,6-8H3/b21-17+,22-18+,23-11-,24-16+
InChIKeyMRGPQOCKPNMIRX-KVRYZVPWSA-N
MW364.58 g/mol
LogP6.13
Rot. Bonds9

About (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine

(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine (PubChem CID 134293562) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine
PubChem CID134293562
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C(C=C)\C=C(/C)N/C(C)=C/C(=C\C(=C)C)C1(C(=C)C)CCNCC1
InChIInChI=1S/C25H36N2/c1-9-11-23(10-2)17-21(7)27-22(8)18-24(16-19(3)4)25(20(5)6)12-14-26-15-13-25/h9-11,16-18,26-27H,1-3,5,12-15H2,4,6-8H3/b21-17+,22-18+,23-11-,24-16+
InChIKeyMRGPQOCKPNMIRX-KVRYZVPWSA-N
XLogP6.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6E,7E,9Z)-6-(3-fluoro-3-methylbutylidene)-N-hepta-1,6-dien-2-yl-2,2,7,9-tetramethylundeca-4,7,9-trien-1-amine
CID 126586993
(4Z,6E)-7-N-[(3Z,5E)-5-(4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-yl)octa-3,5-dien-2-yl]-1-N-methyldeca-4,6,9-triene-1,2,7-triamine
CID 134478962
1-(3-chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-[[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]ethenamine
CID 142385549
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
CID 142816354
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681
[3-(2-Ethylhexylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]methanediamine
CID 68234493
Spiro[1,2-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 69010944
2-[(5-Ethyl-5-methylcyclohexa-1,3-dien-1-yl)amino]propanenitrile
CID 70638410
7-(2,4-dimethylpentyl)-5,5-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydroazepine
CID 71119992
6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
CID 71119998

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine (CID 134293562) is (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine is C=C/C=C(C=C)\C=C(/C)N/C(C)=C/C(=C\C(=C)C)C1(C(=C)C)CCNCC1.
What is the InChIKey of (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine?
The InChIKey is MRGPQOCKPNMIRX-KVRYZVPWSA-N. The full InChI is InChI=1S/C25H36N2/c1-9-11-23(10-2)17-21(7)27-22(8)18-24(16-19(3)4)25(20(5)6)12-14-26-15-13-25/h9-11,16-18,26-27H,1-3,5,12-15H2,4,6-8H3/b21-17+,22-18+,23-11-,24-16+.
What are the key properties of (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine?
(2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine has a molecular weight of 364.58 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethenyl-N-[(2E,4E)-6-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)hepta-2,4,6-trien-2-yl]hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 134293562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).