1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine

C17H25NO2 — CID 107011502

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3
InChIKeyCSBSWFIBRHEAHZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.85
Rot. Bonds8

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine (PubChem CID 107011502) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
PubChem CID107011502
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3
InChIKeyCSBSWFIBRHEAHZ-UHFFFAOYSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
CID 104987213
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
CID 18786561
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine (CID 107011502) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine?
The InChIKey is CSBSWFIBRHEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h3,9-10,13,15,18H,1,4-8,11-12H2,2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107011502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).