[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine

C17H25NO — CID 66417314

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-18)19-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15H,4-5,8-12,18H2,1H3
InChIKeyFAQRARBLVKVDKD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.25
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine (PubChem CID 66417314) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
PubChem CID66417314
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-18)19-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15H,4-5,8-12,18H2,1H3
InChIKeyFAQRARBLVKVDKD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine (CID 66417314) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(OCC2Cc3ccccc32)C1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine?
The InChIKey is FAQRARBLVKVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-18)19-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15H,4-5,8-12,18H2,1H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 66417314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).