1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine

C14H19NO2 — CID 43298420

IUPAC1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
SMILESCC(NCC1CCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO2/c1-10(15-8-11-3-2-4-11)12-5-6-13-14(7-12)17-9-16-13/h5-7,10-11,15H,2-4,8-9H2,1H3
InChIKeyPLIRFYIDHTWEJU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine

1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine (PubChem CID 43298420) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
PubChem CID43298420
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
SMILESCC(NCC1CCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO2/c1-10(15-8-11-3-2-4-11)12-5-6-13-14(7-12)17-9-16-13/h5-7,10-11,15H,2-4,8-9H2,1H3
InChIKeyPLIRFYIDHTWEJU-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine with MolForge

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Related Compounds

3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 126796012
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 60920129
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165903

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine (CID 43298420) is 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine is CC(NCC1CCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine?
The InChIKey is PLIRFYIDHTWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(15-8-11-3-2-4-11)12-5-6-13-14(7-12)17-9-16-13/h5-7,10-11,15H,2-4,8-9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine?
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 43298420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).