1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine

C12H15NO2 — CID 117293470

IUPAC1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESCc1cc2c(c(C3(N)CC3)c1C)OCO2
InChIInChI=1S/C12H15NO2/c1-7-5-9-11(15-6-14-9)10(8(7)2)12(13)3-4-12/h5H,3-4,6,13H2,1-2H3
InChIKeyMOSRUJCSKHDZLE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds1

About 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine

1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine (PubChem CID 117293470) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
PubChem CID117293470
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESCc1cc2c(c(C3(N)CC3)c1C)OCO2
InChIInChI=1S/C12H15NO2/c1-7-5-9-11(15-6-14-9)10(8(7)2)12(13)3-4-12/h5H,3-4,6,13H2,1-2H3
InChIKeyMOSRUJCSKHDZLE-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84790513
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117338504
1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84808815
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117397549
1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117293465
1-[1-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117480231
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117293533

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine (CID 117293470) is 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine is Cc1cc2c(c(C3(N)CC3)c1C)OCO2.
What is the InChIKey of 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The InChIKey is MOSRUJCSKHDZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-5-9-11(15-6-14-9)10(8(7)2)12(13)3-4-12/h5H,3-4,6,13H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 117293470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).