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

C14H19NO2 — CID 104987213

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-3-4-5-12(15-2)11-6-7-13-14(10-11)17-9-8-16-13/h3,6-7,10,12,15H,1,4-5,8-9H2,2H3
InChIKeyNFHBXWQBTKCTKA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.68
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine (PubChem CID 104987213) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
PubChem CID104987213
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO2/c1-3-4-5-12(15-2)11-6-7-13-14(10-11)17-9-8-16-13/h3,6-7,10,12,15H,1,4-5,8-9H2,2H3
InChIKeyNFHBXWQBTKCTKA-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
CID 107011502
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)-3-methoxy-N-methylpropan-1-amine
CID 55115956
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
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-methyl-2-propan-2-ylsulfinylethanamine
CID 64656413
2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116952587
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,3,3-trimethylbutan-1-amine
CID 43482082
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950300

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine (CID 104987213) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine?
The InChIKey is NFHBXWQBTKCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-12(15-2)11-6-7-13-14(10-11)17-9-8-16-13/h3,6-7,10,12,15H,1,4-5,8-9H2,2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.68, 5 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-methylpent-4-en-1-amine is sourced from PubChem (CID 104987213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).