(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium

C15H24N+ — CID 123215981

IUPAC(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium
SMILESC=CC(=C)C1(CC)C(=C)C1(CC)/[N+](C)=C/C
InChIInChI=1S/C15H24N/c1-8-12(5)14(9-2)13(6)15(14,10-3)16(7)11-4/h8,11H,1,5-6,9-10H2,2-4,7H3/q+1/b16-11+
InChIKeyMQSUUAKUISQDJV-LFIBNONCSA-N
MW218.36 g/mol
LogP3.58
Rot. Bonds5

About (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium

(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium (PubChem CID 123215981) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium.

Molecular Properties

Compound Name(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium
PubChem CID123215981
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium
SMILESC=CC(=C)C1(CC)C(=C)C1(CC)/[N+](C)=C/C
InChIInChI=1S/C15H24N/c1-8-12(5)14(9-2)13(6)15(14,10-3)16(7)11-4/h8,11H,1,5-6,9-10H2,2-4,7H3/q+1/b16-11+
InChIKeyMQSUUAKUISQDJV-LFIBNONCSA-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 (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-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

(2-But-2-en-2-yl-1,2,3-trimethylcyclopropyl)-ethylidene-methylazanium
CID 123197091
(4-Buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium
CID 123270803
N-(1,2,2-triethyl-3-methylidenecyclopropyl)ethanimine
CID 138461327
N-(2-buta-1,3-dien-2-yl-1,2-diethylcyclopropyl)methanimine
CID 156229577

Frequently Asked Questions

What is the IUPAC name of (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium?
The IUPAC name of (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium (CID 123215981) is (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium.
What is the SMILES notation for (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium?
The canonical SMILES for (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium is C=CC(=C)C1(CC)C(=C)C1(CC)/[N+](C)=C/C.
What is the InChIKey of (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium?
The InChIKey is MQSUUAKUISQDJV-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N/c1-8-12(5)14(9-2)13(6)15(14,10-3)16(7)11-4/h8,11H,1,5-6,9-10H2,2-4,7H3/q+1/b16-11+.
What are the key properties of (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium?
(2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-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 (2-buta-1,3-dien-2-yl-1,2-diethyl-3-methylidenecyclopropyl)-ethylidene-methylazanium is sourced from PubChem (CID 123215981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).