[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium

C11H20N+ — CID 134861920

IUPAC[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium
SMILESC/C=C/C1CC(=[N+](C)C)C1(C)C
InChIInChI=1S/C11H20N/c1-6-7-9-8-10(12(4)5)11(9,2)3/h6-7,9H,8H2,1-5H3/q+1/b7-6+
InChIKeyARRJMSZDJDKSME-VOTSOKGWSA-N
MW166.29 g/mol
LogP2.32
Rot. Bonds1

About [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium

[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium (PubChem CID 134861920) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium.

Molecular Properties

Compound Name[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium
PubChem CID134861920
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium
SMILESC/C=C/C1CC(=[N+](C)C)C1(C)C
InChIInChI=1S/C11H20N/c1-6-7-9-8-10(12(4)5)11(9,2)3/h6-7,9H,8H2,1-5H3/q+1/b7-6+
InChIKeyARRJMSZDJDKSME-VOTSOKGWSA-N
XLogP2.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.32
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'}

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Related Compounds

[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclobutylidene]-dimethylazanium
CID 139254724
3-Butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium
CID 91569156
(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
CID 123271312
N,3,5,8-tetramethyldec-6-en-2-imine
CID 123617244
8-ethyl-N,3,9-trimethyldec-6-en-5-imine
CID 123773450
N,4-dimethyloct-6-en-2-imine
CID 129191817
1-(2,6-dimethylcyclohex-3-en-1-yl)-N-methylethanimine
CID 130239325
N,4,4,5-tetramethylcyclohex-2-en-1-imine
CID 168246601

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium?
The IUPAC name of [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium (CID 134861920) is [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium.
What is the SMILES notation for [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium?
The canonical SMILES for [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium is C/C=C/C1CC(=[N+](C)C)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium?
The InChIKey is ARRJMSZDJDKSME-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20N/c1-6-7-9-8-10(12(4)5)11(9,2)3/h6-7,9H,8H2,1-5H3/q+1/b7-6+.
What are the key properties of [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium?
[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium has a molecular weight of 166.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium is sourced from PubChem (CID 134861920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).