7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine

C18H25NO — CID 79910009

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCOC2(CCCC2)C1)C1Cc2ccccc21
InChIInChI=1S/C18H25NO/c19-17(16-11-13-5-1-2-6-15(13)16)14-7-10-20-18(12-14)8-3-4-9-18/h1-2,5-6,14,16-17H,3-4,7-12,19H2
InChIKeyXMMQWZBJHBEKTE-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.39
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79910009) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID79910009
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(C1CCOC2(CCCC2)C1)C1Cc2ccccc21
InChIInChI=1S/C18H25NO/c19-17(16-11-13-5-1-2-6-15(13)16)14-7-10-20-18(12-14)8-3-4-9-18/h1-2,5-6,14,16-17H,3-4,7-12,19H2
InChIKeyXMMQWZBJHBEKTE-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine with MolForge

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Related Compounds

3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79910801
7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
CID 64984734
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 79910009) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine is NC(C1CCOC2(CCCC2)C1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is XMMQWZBJHBEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c19-17(16-11-13-5-1-2-6-15(13)16)14-7-10-20-18(12-14)8-3-4-9-18/h1-2,5-6,14,16-17H,3-4,7-12,19H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79910009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).