cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

C17H25NO2 — CID 65018205

IUPACcyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCO2)C1CCCCCCC1
InChIInChI=1S/C17H25NO2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)20-11-10-19-15/h8-9,12-13,17H,1-7,10-11,18H2
InChIKeySYZQUDXJQCMUSX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.82
Rot. Bonds2

About cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 65018205) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID65018205
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namecyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCO2)C1CCCCCCC1
InChIInChI=1S/C17H25NO2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)20-11-10-19-15/h8-9,12-13,17H,1-7,10-11,18H2
InChIKeySYZQUDXJQCMUSX-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115997961
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
1,3-benzodioxol-5-yl(cycloheptyl)methanol
CID 82929316
7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82500531
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
CID 116935656

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 65018205) is cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is NC(c1ccc2c(c1)OCCO2)C1CCCCCCC1.
What is the InChIKey of cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is SYZQUDXJQCMUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-16(12-14)20-11-10-19-15/h8-9,12-13,17H,1-7,10-11,18H2.
What are the key properties of cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 65018205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).