benzene;1-ethyl-3-methylazetidine

C12H19N — CID 178088401

IUPACbenzene;1-ethyl-3-methylazetidine
SMILESCCN1CC(C)C1.c1ccccc1
InChIInChI=1S/C6H13N.C6H6/c1-3-7-4-6(2)5-7;1-2-4-6-5-3-1/h6H,3-5H2,1-2H3;1-6H
InChIKeyHENGHPIDIQVAFZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.64
Rot. Bonds1

About benzene;1-ethyl-3-methylazetidine

benzene;1-ethyl-3-methylazetidine (PubChem CID 178088401) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is benzene;1-ethyl-3-methylazetidine.

Molecular Properties

Compound Namebenzene;1-ethyl-3-methylazetidine
PubChem CID178088401
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Namebenzene;1-ethyl-3-methylazetidine
SMILESCCN1CC(C)C1.c1ccccc1
InChIInChI=1S/C6H13N.C6H6/c1-3-7-4-6(2)5-7;1-2-4-6-5-3-1/h6H,3-5H2,1-2H3;1-6H
InChIKeyHENGHPIDIQVAFZ-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze benzene;1-ethyl-3-methylazetidine 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

(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
1-ethyl-3-methyl-4-phenylpyrrolidine
CID 130451678
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
1-ethyl-N-(3-methylcyclobutyl)azetidin-3-amine
CID 131067728
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
CID 166536916

Frequently Asked Questions

What is the IUPAC name of benzene;1-ethyl-3-methylazetidine?
The IUPAC name of benzene;1-ethyl-3-methylazetidine (CID 178088401) is benzene;1-ethyl-3-methylazetidine.
What is the SMILES notation for benzene;1-ethyl-3-methylazetidine?
The canonical SMILES for benzene;1-ethyl-3-methylazetidine is CCN1CC(C)C1.c1ccccc1.
What is the InChIKey of benzene;1-ethyl-3-methylazetidine?
The InChIKey is HENGHPIDIQVAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H6/c1-3-7-4-6(2)5-7;1-2-4-6-5-3-1/h6H,3-5H2,1-2H3;1-6H.
What are the key properties of benzene;1-ethyl-3-methylazetidine?
benzene;1-ethyl-3-methylazetidine has a molecular weight of 177.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-ethyl-3-methylazetidine is sourced from PubChem (CID 178088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).