3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine

C14H20N2O2 — CID 116907290

IUPAC3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C(c1ccc2c(c1)OCO2)C1CC(N)C1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(10-5-11(15)6-10)9-3-4-12-13(7-9)18-8-17-12/h3-4,7,10-11,14H,5-6,8,15H2,1-2H3
InChIKeyUPWKTTXFAHQQHG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds3

About 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine

3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine (PubChem CID 116907290) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine
PubChem CID116907290
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C(c1ccc2c(c1)OCO2)C1CC(N)C1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(10-5-11(15)6-10)9-3-4-12-13(7-9)18-8-17-12/h3-4,7,10-11,14H,5-6,8,15H2,1-2H3
InChIKeyUPWKTTXFAHQQHG-UHFFFAOYSA-N
XLogP1.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine
CID 116914858
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
CID 116907314
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine (CID 116907290) is 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine is CN(C)C(c1ccc2c(c1)OCO2)C1CC(N)C1.
What is the InChIKey of 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine?
The InChIKey is UPWKTTXFAHQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)14(10-5-11(15)6-10)9-3-4-12-13(7-9)18-8-17-12/h3-4,7,10-11,14H,5-6,8,15H2,1-2H3.
What are the key properties of 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine?
3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).