(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium

C14H24N+ — CID 123854178

IUPAC(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium
SMILESC=C[N+](=C)C1(CC)CC1(CC)C(C)=CC
InChIInChI=1S/C14H24N/c1-7-12(5)13(8-2)11-14(13,9-3)15(6)10-4/h7,10H,4,6,8-9,11H2,1-3,5H3/q+1
InChIKeyRVOVFZHLEFVVGL-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.76
Rot. Bonds5

About (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium

(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium (PubChem CID 123854178) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium.

Molecular Properties

Compound Name(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium
PubChem CID123854178
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium
SMILESC=C[N+](=C)C1(CC)CC1(CC)C(C)=CC
InChIInChI=1S/C14H24N/c1-7-12(5)13(8-2)11-14(13,9-3)15(6)10-4/h7,10H,4,6,8-9,11H2,1-3,5H3/q+1
InChIKeyRVOVFZHLEFVVGL-UHFFFAOYSA-N
XLogP3.76
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.76
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium?
The IUPAC name of (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium (CID 123854178) is (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium.
What is the SMILES notation for (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium?
The canonical SMILES for (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium is C=C[N+](=C)C1(CC)CC1(CC)C(C)=CC.
What is the InChIKey of (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium?
The InChIKey is RVOVFZHLEFVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-7-12(5)13(8-2)11-14(13,9-3)15(6)10-4/h7,10H,4,6,8-9,11H2,1-3,5H3/q+1.
What are the key properties of (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium?
(2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium has a molecular weight of 206.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium is sourced from PubChem (CID 123854178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).