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

C24H39N3O — CID 142907700

IUPACethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
SMILESCC.[H]/N=C(\O/N=C/C(/C=C\C/C(C)=C/C=CC/C=C\C)=C/C)C1CCNCC1
InChIInChI=1S/C22H33N3O.C2H6/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;1-2/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3;1-2H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+;
InChIKeyJPUMFQRAEFHSOM-WCPJNKPESA-N
MW385.60 g/mol
LogP6.35
Rot. Bonds9

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

ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate (PubChem CID 142907700) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate.

Molecular Properties

Compound Nameethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
PubChem CID142907700
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Nameethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
SMILESCC.[H]/N=C(\O/N=C/C(/C=C\C/C(C)=C/C=CC/C=C\C)=C/C)C1CCNCC1
InChIInChI=1S/C22H33N3O.C2H6/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;1-2/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3;1-2H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+;
InChIKeyJPUMFQRAEFHSOM-WCPJNKPESA-N
XLogP6.35
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.35
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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Related Compounds

(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
CID 145300567
[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
CID 142907701

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The IUPAC name of ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate (CID 142907700) is ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate.
What is the SMILES notation for ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The canonical SMILES for ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate is CC.[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 ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
The InChIKey is JPUMFQRAEFHSOM-WCPJNKPESA-N. The full InChI is InChI=1S/C22H33N3O.C2H6/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;1-2/h4-6,8-11,13,18,21,23-24H,7,12,14-17H2,1-3H3;1-2H3/b6-4-,9-8?,13-10-,19-11+,20-5+,23-22-,25-18+;.
What are the key properties of ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate?
ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate has a molecular weight of 385.60 g/mol, XLogP of 6.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate is sourced from PubChem (CID 142907700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).