N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine

C9H16N2 — CID 77156446

IUPACN-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C1CN(C)C1
InChIInChI=1S/C9H16N2/c1-4-8(5-10-2)9-6-11(3)7-9/h4-5,9H,6-7H2,1-3H3/b8-4?,10-5+
InChIKeyCJZHLZDRXAZMDT-AAIWAHDOSA-N
MW152.24 g/mol
LogP1.19
Rot. Bonds2

About N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine

N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine (PubChem CID 77156446) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
PubChem CID77156446
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C1CN(C)C1
InChIInChI=1S/C9H16N2/c1-4-8(5-10-2)9-6-11(3)7-9/h4-5,9H,6-7H2,1-3H3/b8-4?,10-5+
InChIKeyCJZHLZDRXAZMDT-AAIWAHDOSA-N
XLogP1.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylazepane
CID 143816851
(Z)-3-cyclopropylimino-2-(1,5-dimethylpiperidin-3-yl)prop-1-en-1-amine
CID 177322366
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
formyl 1-methylazetidine-3-carboxylate
CID 174524829
methylidyne-[C-methyl-N-[(E)-2-(1-methylazetidin-3-yl)prop-1-enyl]carbonimidoyl]azanium
CID 176708065
1-methyl-3-[(E)-prop-1-enyl]azetidine
CID 171094994
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
methyl N,1-dimethylpiperidine-3-carboximidothioate
CID 116828069
acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 143016565
3-bromo-1-methylazetidine
CID 164545813

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine?
The IUPAC name of N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine (CID 77156446) is N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine?
The canonical SMILES for N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine is CC=C(/C=N/C)C1CN(C)C1.
What is the InChIKey of N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine?
The InChIKey is CJZHLZDRXAZMDT-AAIWAHDOSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(5-10-2)9-6-11(3)7-9/h4-5,9H,6-7H2,1-3H3/b8-4?,10-5+.
What are the key properties of N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine?
N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine has a molecular weight of 152.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine is sourced from PubChem (CID 77156446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).