1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine

C10H13N — CID 146221659

IUPAC1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
SMILESCC(N)c1ccc2c(c1)CC2
InChIInChI=1S/C10H13N/c1-7(11)9-4-2-8-3-5-10(8)6-9/h2,4,6-7H,3,5,11H2,1H3
InChIKeyYXBZFFMRSJXQDW-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.80
Rot. Bonds1

About 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine

1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine (PubChem CID 146221659) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
PubChem CID146221659
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
SMILESCC(N)c1ccc2c(c1)CC2
InChIInChI=1S/C10H13N/c1-7(11)9-4-2-8-3-5-10(8)6-9/h2,4,6-7H,3,5,11H2,1H3
InChIKeyYXBZFFMRSJXQDW-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
CID 174827553
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 83827545
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83832101
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine?
The IUPAC name of 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine (CID 146221659) is 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine is CC(N)c1ccc2c(c1)CC2.
What is the InChIKey of 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine?
The InChIKey is YXBZFFMRSJXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7(11)9-4-2-8-3-5-10(8)6-9/h2,4,6-7H,3,5,11H2,1H3.
What are the key properties of 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine?
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine has a molecular weight of 147.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine is sourced from PubChem (CID 146221659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).