1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine

C15H21N — CID 64984186

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)C1Cc2ccccc21
InChIInChI=1S/C15H21N/c16-15(9-11-5-1-2-6-11)14-10-12-7-3-4-8-13(12)14/h3-4,7-8,11,14-15H,1-2,5-6,9-10,16H2
InChIKeyKCTPPKHDNJCFIY-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.23
Rot. Bonds3

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine (PubChem CID 64984186) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
PubChem CID64984186
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)C1Cc2ccccc21
InChIInChI=1S/C15H21N/c16-15(9-11-5-1-2-6-11)14-10-12-7-3-4-8-13(12)14/h3-4,7-8,11,14-15H,1-2,5-6,9-10,16H2
InChIKeyKCTPPKHDNJCFIY-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
CID 64984734
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 66395638
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-4-yn-1-amine
CID 104805824
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-chlorophenyl)ethanamine
CID 64983999
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823604
2-cyclopentyl-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 65412477

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine (CID 64984186) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine is NC(CC1CCCC1)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine?
The InChIKey is KCTPPKHDNJCFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c16-15(9-11-5-1-2-6-11)14-10-12-7-3-4-8-13(12)14/h3-4,7-8,11,14-15H,1-2,5-6,9-10,16H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine is sourced from PubChem (CID 64984186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).