methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium

C10H16N3+ — CID 176708065

IUPACmethylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium
SMILESC#[N+]/C(C)=N/C=C(\C)C1CN(C)C1
InChIInChI=1S/C10H16N3/c1-8(5-12-9(2)11-3)10-6-13(4)7-10/h3,5,10H,6-7H2,1-2,4H3/q+1/b8-5+,12-9+
InChIKeyGIZIYPLBVLXZBJ-LRELXJSQSA-N
MW178.26 g/mol
LogP1.83
Rot. Bonds2

About methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium

methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium (PubChem CID 176708065) has the molecular formula C10H16N3+ and a molecular weight of 178.26 g/mol. Its IUPAC name is methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium.

Molecular Properties

Compound Namemethylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium
PubChem CID176708065
Molecular FormulaC10H16N3+
Molecular Weight178.26 g/mol
Exact Mass178.13
IUPAC Namemethylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium
SMILESC#[N+]/C(C)=N/C=C(\C)C1CN(C)C1
InChIInChI=1S/C10H16N3/c1-8(5-12-9(2)11-3)10-6-13(4)7-10/h3,5,10H,6-7H2,1-2,4H3/q+1/b8-5+,12-9+
InChIKeyGIZIYPLBVLXZBJ-LRELXJSQSA-N
XLogP1.83
TPSA19.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium 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

N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
CID 77156446
formyl 1-methylazetidine-3-carboxylate
CID 174524829
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine
CID 171037066
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
(E)-3-(1-methylpyrrolidin-3-yl)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 178044420
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
3-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylazepane
CID 143816851
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
2-(1-methylpiperidin-3-yl)prop-2-enal
CID 117266772
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802

Frequently Asked Questions

What is the IUPAC name of methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium?
The IUPAC name of methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium (CID 176708065) is methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium.
What is the SMILES notation for methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium?
The canonical SMILES for methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium is C#[N+]/C(C)=N/C=C(\C)C1CN(C)C1.
What is the InChIKey of methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium?
The InChIKey is GIZIYPLBVLXZBJ-LRELXJSQSA-N. The full InChI is InChI=1S/C10H16N3/c1-8(5-12-9(2)11-3)10-6-13(4)7-10/h3,5,10H,6-7H2,1-2,4H3/q+1/b8-5+,12-9+.
What are the key properties of methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium?
methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium has a molecular weight of 178.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium is sourced from PubChem (CID 176708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).