2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium

C13H23N2+ — CID 123426179

IUPAC2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
SMILESCCC(C)=C1NCCCC1=CC=[N+](C)C
InChIInChI=1S/C13H23N2/c1-5-11(2)13-12(7-6-9-14-13)8-10-15(3)4/h8,10,14H,5-7,9H2,1-4H3/q+1
InChIKeyKFXFHKUHAYRWRH-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium

2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium (PubChem CID 123426179) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium.

Molecular Properties

Compound Name2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
PubChem CID123426179
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
SMILESCCC(C)=C1NCCCC1=CC=[N+](C)C
InChIInChI=1S/C13H23N2/c1-5-11(2)13-12(7-6-9-14-13)8-10-15(3)4/h8,10,14H,5-7,9H2,1-4H3/q+1
InChIKeyKFXFHKUHAYRWRH-UHFFFAOYSA-N
XLogP2.32
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine
CID 89245170
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Bis(3 pyridylidene)piperidin
CID 132275763
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(Z,4Z)-4-(2-methylidenepiperidin-3-ylidene)but-2-en-2-amine
CID 122448736
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
[3-Ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
CID 123661743
(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
CID 123887554
N-(2-piperazin-1-yl-5-propan-2-ylidenecyclopenten-1-yl)ethanimine
CID 124014538
(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine
CID 134406753
(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine
CID 134406809

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium?
The IUPAC name of 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium (CID 123426179) is 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium.
What is the SMILES notation for 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium?
The canonical SMILES for 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium is CCC(C)=C1NCCCC1=CC=[N+](C)C.
What is the InChIKey of 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium?
The InChIKey is KFXFHKUHAYRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2/c1-5-11(2)13-12(7-6-9-14-13)8-10-15(3)4/h8,10,14H,5-7,9H2,1-4H3/q+1.
What are the key properties of 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium?
2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium has a molecular weight of 207.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium is sourced from PubChem (CID 123426179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).