1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine

C14H17NO2 — CID 84794385

IUPAC1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
SMILESNC1(c2ccc3c(c2)OC2(CCCC2)O3)CC1
InChIInChI=1S/C14H17NO2/c15-13(7-8-13)10-3-4-11-12(9-10)17-14(16-11)5-1-2-6-14/h3-4,9H,1-2,5-8,15H2
InChIKeyIMNYOWTUNNWVTD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.68
Rot. Bonds1

About 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine

1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine (PubChem CID 84794385) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
PubChem CID84794385
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
SMILESNC1(c2ccc3c(c2)OC2(CCCC2)O3)CC1
InChIInChI=1S/C14H17NO2/c15-13(7-8-13)10-3-4-11-12(9-10)17-14(16-11)5-1-2-6-14/h3-4,9H,1-2,5-8,15H2
InChIKeyIMNYOWTUNNWVTD-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
CID 117354591
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
1-(2,2-dimethyl-1,3-benzoxathiol-6-yl)cyclopentan-1-amine
CID 117377637
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
CID 117373853
3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
CID 166607927
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylformamide
CID 168651221
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916
2-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylethanol
CID 117294612
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
CID 117362249

Frequently Asked Questions

What is the IUPAC name of 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine?
The IUPAC name of 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine (CID 84794385) is 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine.
What is the SMILES notation for 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine?
The canonical SMILES for 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine is NC1(c2ccc3c(c2)OC2(CCCC2)O3)CC1.
What is the InChIKey of 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine?
The InChIKey is IMNYOWTUNNWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-13(7-8-13)10-3-4-11-12(9-10)17-14(16-11)5-1-2-6-14/h3-4,9H,1-2,5-8,15H2.
What are the key properties of 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine?
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine has a molecular weight of 231.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine is sourced from PubChem (CID 84794385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).