dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

C15H24N+ — CID 143983051

IUPACdibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](CCCC)CCCC)C=C1
InChIInChI=1S/C15H24N/c1-4-6-12-16(13-7-5-2)15-10-8-14(3)9-11-15/h8-11H,3-7,12-13H2,1-2H3/q+1
InChIKeyFGFDQZZBPPDVQH-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.72
Rot. Bonds6

About dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 143983051) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namedibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID143983051
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Namedibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](CCCC)CCCC)C=C1
InChIInChI=1S/C15H24N/c1-4-6-12-16(13-7-5-2)15-10-8-14(3)9-11-15/h8-11H,3-7,12-13H2,1-2H3/q+1
InChIKeyFGFDQZZBPPDVQH-UHFFFAOYSA-N
XLogP3.72
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-butyl-1-methyl-2,6-dihydropyridin-3-imine
CID 57045078
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
Cyclohexa-2,5-dien-1-ylidene(diethyl)azanium
CID 68384674
[4-(2-Cyclohexa-2,5-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]-dihexylazanium
CID 89955934
N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine
CID 90904599
3-(2,3-dimethylpent-2-enylidene)-6-methyl-2H-pyridine
CID 91204887

Frequently Asked Questions

What is the IUPAC name of dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 143983051) is dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is C=C1C=CC(=[N+](CCCC)CCCC)C=C1.
What is the InChIKey of dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is FGFDQZZBPPDVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-4-6-12-16(13-7-5-2)15-10-8-14(3)9-11-15/h8-11H,3-7,12-13H2,1-2H3/q+1.
What are the key properties of dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 218.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 143983051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).