[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate

C22H33N3O — CID 142907701

IUPAC[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
SMILES[H]/N=C(\O/N=C/C(/C=C\C/C(C)=C/C=CC/C=C\C)=C/C)C1CCNCC1
InChIInChI=1S/C22H33N3O/c1-4-6-7-8-9-11-19(3)12-10-13-20(5-2)18-25-26-22(23)21-14-16-24-17-15-21/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+
InChIKeySOBOMILGRSVCIW-GADXFUPRSA-N
MW355.53 g/mol
LogP5.33
Rot. Bonds9

About [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate

[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate (PubChem CID 142907701) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate.

Molecular Properties

Compound Name[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
PubChem CID142907701
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
SMILES[H]/N=C(\O/N=C/C(/C=C\C/C(C)=C/C=CC/C=C\C)=C/C)C1CCNCC1
InChIInChI=1S/C22H33N3O/c1-4-6-7-8-9-11-19(3)12-10-13-20(5-2)18-25-26-22(23)21-14-16-24-17-15-21/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+
InChIKeySOBOMILGRSVCIW-GADXFUPRSA-N
XLogP5.33
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The IUPAC name of [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate (CID 142907701) is [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate.
What is the SMILES notation for [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The canonical SMILES for [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate is [H]/N=C(\O/N=C/C(/C=C\C/C(C)=C/C=CC/C=C\C)=C/C)C1CCNCC1.
What is the InChIKey of [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The InChIKey is SOBOMILGRSVCIW-GADXFUPRSA-N. The full InChI is InChI=1S/C22H33N3O/c1-4-6-7-8-9-11-19(3)12-10-13-20(5-2)18-25-26-22(23)21-14-16-24-17-15-21/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+.
What are the key properties of [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate has a molecular weight of 355.53 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate is sourced from PubChem (CID 142907701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).