7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine

C12H15N — CID 64984734

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
SMILESNC(C1CC1)C1Cc2ccccc21
InChIInChI=1S/C12H15N/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11-12H,5-7,13H2
InChIKeyOJVQNLBBWMCFKB-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.06
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine (PubChem CID 64984734) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
PubChem CID64984734
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
SMILESNC(C1CC1)C1Cc2ccccc21
InChIInChI=1S/C12H15N/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11-12H,5-7,13H2
InChIKeyOJVQNLBBWMCFKB-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79910009
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
CID 64984186
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine
CID 116517537
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
CID 64984280
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66394223
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 66395638
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine (CID 64984734) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine is NC(C1CC1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine?
The InChIKey is OJVQNLBBWMCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11-12H,5-7,13H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine is sourced from PubChem (CID 64984734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).