3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

C18H27NO — CID 116723736

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(CC1Cc2ccccc21)C(OCC)C1CC1
InChIInChI=1S/C18H27NO/c1-3-19-17(18(20-4-2)13-9-10-13)12-15-11-14-7-5-6-8-16(14)15/h5-8,13,15,17-19H,3-4,9-12H2,1-2H3
InChIKeyCBCLEMYKTQIPAF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.51
Rot. Bonds8

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 116723736) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
PubChem CID116723736
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(CC1Cc2ccccc21)C(OCC)C1CC1
InChIInChI=1S/C18H27NO/c1-3-19-17(18(20-4-2)13-9-10-13)12-15-11-14-7-5-6-8-16(14)15/h5-8,13,15,17-19H,3-4,9-12H2,1-2H3
InChIKeyCBCLEMYKTQIPAF-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105162885
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197333
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
1-cyclopropyl-1-ethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 116712738
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 66418997
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761230
[1-cyclopropyl-3-(3,4-dihydro-2H-chromen-4-yl)-1-ethoxypropan-2-yl]hydrazine
CID 105273285
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-yl]hydrazine
CID 105319265
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555

Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (CID 116723736) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is CCNC(CC1Cc2ccccc21)C(OCC)C1CC1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is CBCLEMYKTQIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-17(18(20-4-2)13-9-10-13)12-15-11-14-7-5-6-8-16(14)15/h5-8,13,15,17-19H,3-4,9-12H2,1-2H3.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 116723736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).