(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium

C15H24N+ — CID 123270803

IUPAC(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium
SMILESC=CC(=C)C1(CC)C=CC1(CC)/[N+](C)=C/C
InChIInChI=1S/C15H24N/c1-7-13(5)14(8-2)11-12-15(14,9-3)16(6)10-4/h7,10-12H,1,5,8-9H2,2-4,6H3/q+1/b16-10+
InChIKeyOUQRSHQVFNUHPE-MHWRWJLKSA-N
MW218.36 g/mol
LogP3.58
Rot. Bonds5

About (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium

(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium (PubChem CID 123270803) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium.

Molecular Properties

Compound Name(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium
PubChem CID123270803
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium
SMILESC=CC(=C)C1(CC)C=CC1(CC)/[N+](C)=C/C
InChIInChI=1S/C15H24N/c1-7-13(5)14(8-2)11-12-15(14,9-3)16(6)10-4/h7,10-12H,1,5,8-9H2,2-4,6H3/q+1/b16-10+
InChIKeyOUQRSHQVFNUHPE-MHWRWJLKSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Ethyl-3,4-dimethyl-5-methylidenehept-6-en-3-yl)-methylidene-pent-3-en-2-ylazanium
CID 91150296
(2-But-2-en-2-yl-1,2,3-trimethylcyclopropyl)-ethylidene-methylazanium
CID 123197091
(2-Buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium
CID 123215981
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
CID 123655964
N-(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)methanimine
CID 138740054
N-(1,4,4-triethylcyclobut-2-en-1-yl)ethanimine
CID 155197257
N-[1,4-dimethyl-4-(3-methylbuta-1,3-dien-2-yl)cyclobut-2-en-1-yl]methanimine
CID 167269169
[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-tert-butyl-ethylideneazanium
CID 170130896
[1,4-Dimethyl-4-(4-methylpenta-1,3-dien-2-yl)cyclobut-2-en-1-yl]-ethenyl-methylideneazanium
CID 170294200
4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2,4-tetramethyl-3H-pyrrol-1-ium
CID 162436203

Frequently Asked Questions

What is the IUPAC name of (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium?
The IUPAC name of (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium (CID 123270803) is (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium.
What is the SMILES notation for (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium?
The canonical SMILES for (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium is C=CC(=C)C1(CC)C=CC1(CC)/[N+](C)=C/C.
What is the InChIKey of (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium?
The InChIKey is OUQRSHQVFNUHPE-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H24N/c1-7-13(5)14(8-2)11-12-15(14,9-3)16(6)10-4/h7,10-12H,1,5,8-9H2,2-4,6H3/q+1/b16-10+.
What are the key properties of (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium?
(4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium 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 (4-buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium is sourced from PubChem (CID 123270803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).