[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium

C11H19N2+ — CID 123518637

IUPAC[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
SMILESC=[N+]=C(C(C)=CC)C(C)C1CNC1
InChIInChI=1S/C11H19N2/c1-5-8(2)11(12-4)9(3)10-6-13-7-10/h5,9-10,13H,4,6-7H2,1-3H3/q+1
InChIKeyAFKBGGNFCMAPGW-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.02
Rot. Bonds3

About [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium

[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium (PubChem CID 123518637) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium.

Molecular Properties

Compound Name[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
PubChem CID123518637
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
SMILESC=[N+]=C(C(C)=CC)C(C)C1CNC1
InChIInChI=1S/C11H19N2/c1-5-8(2)11(12-4)9(3)10-6-13-7-10/h5,9-10,13H,4,6-7H2,1-3H3/q+1
InChIKeyAFKBGGNFCMAPGW-UHFFFAOYSA-N
XLogP1.02
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium 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

(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
CID 123937374
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786
3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
CID 149363012
(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
CID 174354908

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium?
The IUPAC name of [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium (CID 123518637) is [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium.
What is the SMILES notation for [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium?
The canonical SMILES for [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium is C=[N+]=C(C(C)=CC)C(C)C1CNC1.
What is the InChIKey of [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium?
The InChIKey is AFKBGGNFCMAPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c1-5-8(2)11(12-4)9(3)10-6-13-7-10/h5,9-10,13H,4,6-7H2,1-3H3/q+1.
What are the key properties of [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium?
[2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium has a molecular weight of 179.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium is sourced from PubChem (CID 123518637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).