2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine

C17H23NO2 — CID 65007449

IUPAC2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
SMILESNC1(c2ccc3c(c2)OCO3)CC2(CCCCCC2)C1
InChIInChI=1S/C17H23NO2/c18-17(10-16(11-17)7-3-1-2-4-8-16)13-5-6-14-15(9-13)20-12-19-14/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyHZZXAGAEHJULIA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine

2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine (PubChem CID 65007449) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
PubChem CID65007449
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
SMILESNC1(c2ccc3c(c2)OCO3)CC2(CCCCCC2)C1
InChIInChI=1S/C17H23NO2/c18-17(10-16(11-17)7-3-1-2-4-8-16)13-5-6-14-15(9-13)20-12-19-14/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyHZZXAGAEHJULIA-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
CID 165360308
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylcyclohexan-1-amine
CID 62788659
2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine
CID 65003020
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine (CID 65007449) is 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine is NC1(c2ccc3c(c2)OCO3)CC2(CCCCCC2)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine?
The InChIKey is HZZXAGAEHJULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-17(10-16(11-17)7-3-1-2-4-8-16)13-5-6-14-15(9-13)20-12-19-14/h5-6,9H,1-4,7-8,10-12,18H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine?
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine is sourced from PubChem (CID 65007449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).