3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine

C17H25NO2 — CID 81416989

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc3c(c2)OCCO3)C1(C)C
InChIInChI=1S/C17H25NO2/c1-4-7-18-16-11-13(17(16,2)3)12-5-6-14-15(10-12)20-9-8-19-14/h5-6,10,13,16,18H,4,7-9,11H2,1-3H3
InChIKeyMEOVIILIKSVABX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 81416989) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID81416989
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc3c(c2)OCCO3)C1(C)C
InChIInChI=1S/C17H25NO2/c1-4-7-18-16-11-13(17(16,2)3)12-5-6-14-15(10-12)20-9-8-19-14/h5-6,10,13,16,18H,4,7-9,11H2,1-3H3
InChIKeyMEOVIILIKSVABX-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 81416989) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc3c(c2)OCCO3)C1(C)C.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is MEOVIILIKSVABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-7-18-16-11-13(17(16,2)3)12-5-6-14-15(10-12)20-9-8-19-14/h5-6,10,13,16,18H,4,7-9,11H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81416989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).