(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium

C15H24N2+2 — CID 134855943

IUPAC(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium
SMILESC1=[NH+]CCC/C1=C\CCC/C=C1/C=[NH+]CCC1
InChIInChI=1S/C15H22N2/c1(2-6-14-8-4-10-16-12-14)3-7-15-9-5-11-17-13-15/h6-7,12-13H,1-5,8-11H2/p+2/b14-6+,15-7+
InChIKeyPLRJVKFUOXCVDV-MKFXEVHTSA-P
MW232.37 g/mol
LogP-0.10
Rot. Bonds4

About (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium

(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium (PubChem CID 134855943) has the molecular formula C15H24N2+2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium
PubChem CID134855943
Molecular FormulaC15H24N2+2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium
SMILESC1=[NH+]CCC/C1=C\CCC/C=C1/C=[NH+]CCC1
InChIInChI=1S/C15H22N2/c1(2-6-14-8-4-10-16-12-14)3-7-15-9-5-11-17-13-15/h6-7,12-13H,1-5,8-11H2/p+2/b14-6+,15-7+
InChIKeyPLRJVKFUOXCVDV-MKFXEVHTSA-P
XLogP-0.10
TPSA27.94 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431
2-(2,3-Dihydropyridin-4-yl)ethanamine
CID 138600749
2-(2,3-Dihydropyridin-5-yl)ethanamine
CID 143109838
(Z)-3-(methyliminomethyl)hept-3-en-1-amine
CID 169646834
(Z)-3-(butyliminomethyl)pent-3-en-1-amine
CID 169647063
(Z)-N-methyl-5-(methyliminomethyl)hept-5-en-1-amine
CID 172612967
3,4,5,8-Tetrahydroisoquinolin-2-ium
CID 173071870
3,4,5,6-Tetrahydroisoquinolin-2-ium
CID 173072291
3,4,7,8-Tetrahydroisoquinolin-2-ium
CID 173106746
(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridine
CID 10036847

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium?
The IUPAC name of (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium (CID 134855943) is (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium?
The canonical SMILES for (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium is C1=[NH+]CCC/C1=C\CCC/C=C1/C=[NH+]CCC1.
What is the InChIKey of (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium?
The InChIKey is PLRJVKFUOXCVDV-MKFXEVHTSA-P. The full InChI is InChI=1S/C15H22N2/c1(2-6-14-8-4-10-16-12-14)3-7-15-9-5-11-17-13-15/h6-7,12-13H,1-5,8-11H2/p+2/b14-6+,15-7+.
What are the key properties of (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium?
(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium has a molecular weight of 232.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 134855943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).