1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine

C14H17N3 — CID 79761477

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1Cc2ccccc21
InChIInChI=1S/C14H17N3/c1-17-7-6-16-14(17)9-13(15)12-8-10-4-2-3-5-11(10)12/h2-7,12-13H,8-9,15H2,1H3
InChIKeyFLIAWMJPZSPJIJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.63
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 79761477) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID79761477
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1Cc2ccccc21
InChIInChI=1S/C14H17N3/c1-17-7-6-16-14(17)9-13(15)12-8-10-4-2-3-5-11(10)12/h2-7,12-13H,8-9,15H2,1H3
InChIKeyFLIAWMJPZSPJIJ-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823604
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79751984
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011503
N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 114528633
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-chlorophenyl)ethanamine
CID 64983999
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methylphenyl)ethanamine
CID 64984380

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 79761477) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is FLIAWMJPZSPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-7-6-16-14(17)9-13(15)12-8-10-4-2-3-5-11(10)12/h2-7,12-13H,8-9,15H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79761477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).