(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine

C13H19N — CID 89357910

IUPAC(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine
SMILESC=C/C=C\CC/C=C1\CCCNC1=C
InChIInChI=1S/C13H19N/c1-3-4-5-6-7-9-13-10-8-11-14-12(13)2/h3-5,9,14H,1-2,6-8,10-11H2/b5-4-,13-9+
InChIKeyUQQRGANBQDBSFC-UVJMCMIKSA-N
MW189.30 g/mol
LogP3.33
Rot. Bonds4

About (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine

(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine (PubChem CID 89357910) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine.

Molecular Properties

Compound Name(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine
PubChem CID89357910
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine
SMILESC=C/C=C\CC/C=C1\CCCNC1=C
InChIInChI=1S/C13H19N/c1-3-4-5-6-7-9-13-10-8-11-14-12(13)2/h3-5,9,14H,1-2,6-8,10-11H2/b5-4-,13-9+
InChIKeyUQQRGANBQDBSFC-UVJMCMIKSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine?
The IUPAC name of (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine (CID 89357910) is (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine.
What is the SMILES notation for (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine?
The canonical SMILES for (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine is C=C/C=C\CC/C=C1\CCCNC1=C.
What is the InChIKey of (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine?
The InChIKey is UQQRGANBQDBSFC-UVJMCMIKSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-5-6-7-9-13-10-8-11-14-12(13)2/h3-5,9,14H,1-2,6-8,10-11H2/b5-4-,13-9+.
What are the key properties of (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine?
(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine has a molecular weight of 189.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine is sourced from PubChem (CID 89357910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).