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

C15H24N+ — CID 142290217

IUPACethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium
SMILESC=C1C=CC(=[N+](CC)CCCC(C)C)C=C1
InChIInChI=1S/C15H24N/c1-5-16(12-6-7-13(2)3)15-10-8-14(4)9-11-15/h8-11,13H,4-7,12H2,1-3H3/q+1
InChIKeyCGZSTXKXITUQCH-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.58
Rot. Bonds5

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

ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium (PubChem CID 142290217) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium.

Molecular Properties

Compound Nameethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium
PubChem CID142290217
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Nameethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium
SMILESC=C1C=CC(=[N+](CC)CCCC(C)C)C=C1
InChIInChI=1S/C15H24N/c1-5-16(12-6-7-13(2)3)15-10-8-14(4)9-11-15/h8-11,13H,4-7,12H2,1-3H3/q+1
InChIKeyCGZSTXKXITUQCH-UHFFFAOYSA-N
XLogP3.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.58
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

Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
[4-(2-Cyclohexa-2,5-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]-dihexylazanium
CID 89955934
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
CID 123712763
(4Z)-N-methyl-1-propan-2-yl-4-prop-2-enylidenepiperidin-3-imine
CID 169567688
diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
CID 18692736
Diethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 73457056
(3aR)-1-ethyl-3,3a-dihydro-2H-indol-1-ium
CID 122386246
(3aR)-1-propan-2-yl-3,3a-dihydro-2H-indol-1-ium
CID 122386249
N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine
CID 143316732
Dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 143983051

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium?
The IUPAC name of ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium (CID 142290217) is ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium.
What is the SMILES notation for ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium?
The canonical SMILES for ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium is C=C1C=CC(=[N+](CC)CCCC(C)C)C=C1.
What is the InChIKey of ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium?
The InChIKey is CGZSTXKXITUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-5-16(12-6-7-13(2)3)15-10-8-14(4)9-11-15/h8-11,13H,4-7,12H2,1-3H3/q+1.
What are the key properties of ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium?
ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium has a molecular weight of 218.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium is sourced from PubChem (CID 142290217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).