(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine

C15H26N2 — CID 142858173

IUPAC(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine
SMILESC/C=C\C(=C/C=C/CN)N1CCC(CC)CC1
InChIInChI=1S/C15H26N2/c1-3-7-15(8-5-6-11-16)17-12-9-14(4-2)10-13-17/h3,5-8,14H,4,9-13,16H2,1-2H3/b6-5+,7-3-,15-8+
InChIKeyVEPMJYFAIQGVPJ-KSQXPXOUSA-N
MW234.39 g/mol
LogP3.08
Rot. Bonds5

About (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine

(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine (PubChem CID 142858173) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine
PubChem CID142858173
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine
SMILESC/C=C\C(=C/C=C/CN)N1CCC(CC)CC1
InChIInChI=1S/C15H26N2/c1-3-7-15(8-5-6-11-16)17-12-9-14(4-2)10-13-17/h3,5-8,14H,4,9-13,16H2,1-2H3/b6-5+,7-3-,15-8+
InChIKeyVEPMJYFAIQGVPJ-KSQXPXOUSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine (CID 142858173) is (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine is C/C=C\C(=C/C=C/CN)N1CCC(CC)CC1.
What is the InChIKey of (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine?
The InChIKey is VEPMJYFAIQGVPJ-KSQXPXOUSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-7-15(8-5-6-11-16)17-12-9-14(4-2)10-13-17/h3,5-8,14H,4,9-13,16H2,1-2H3/b6-5+,7-3-,15-8+.
What are the key properties of (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine?
(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine is sourced from PubChem (CID 142858173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).