(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine

C19H34N2 — CID 89355263

IUPAC(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine
SMILESCC(=C/C=C(\C)C(C)(C)C)/C=C/NCCN1CCCCC1
InChIInChI=1S/C19H34N2/c1-17(9-10-18(2)19(3,4)5)11-12-20-13-16-21-14-7-6-8-15-21/h9-12,20H,6-8,13-16H2,1-5H3/b12-11+,17-9-,18-10+
InChIKeyZPMBYVUZSGCKPL-JUFGMBAYSA-N
MW290.50 g/mol
LogP4.51
Rot. Bonds6

About (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine

(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine (PubChem CID 89355263) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine
PubChem CID89355263
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine
SMILESCC(=C/C=C(\C)C(C)(C)C)/C=C/NCCN1CCCCC1
InChIInChI=1S/C19H34N2/c1-17(9-10-18(2)19(3,4)5)11-12-20-13-16-21-14-7-6-8-15-21/h9-12,20H,6-8,13-16H2,1-5H3/b12-11+,17-9-,18-10+
InChIKeyZPMBYVUZSGCKPL-JUFGMBAYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine (CID 89355263) is (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine is CC(=C/C=C(\C)C(C)(C)C)/C=C/NCCN1CCCCC1.
What is the InChIKey of (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine?
The InChIKey is ZPMBYVUZSGCKPL-JUFGMBAYSA-N. The full InChI is InChI=1S/C19H34N2/c1-17(9-10-18(2)19(3,4)5)11-12-20-13-16-21-14-7-6-8-15-21/h9-12,20H,6-8,13-16H2,1-5H3/b12-11+,17-9-,18-10+.
What are the key properties of (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine?
(1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-3,6,7,7-tetramethyl-N-(2-piperidin-1-ylethyl)octa-1,3,5-trien-1-amine is sourced from PubChem (CID 89355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).