2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile

C15H20N2O2 — CID 116955736

IUPAC2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
SMILESCNC(c1cc2c(cc1C)OCCO2)C(C)(C)C#N
InChIInChI=1S/C15H20N2O2/c1-10-7-12-13(19-6-5-18-12)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyLDOMUJQNIZCDFW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds3

About 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile

2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile (PubChem CID 116955736) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
PubChem CID116955736
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
SMILESCNC(c1cc2c(cc1C)OCCO2)C(C)(C)C#N
InChIInChI=1S/C15H20N2O2/c1-10-7-12-13(19-6-5-18-12)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyLDOMUJQNIZCDFW-UHFFFAOYSA-N
XLogP2.58
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180
2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
CID 116955783
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116948739
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833484
methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617
dimethylamino-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanethiol
CID 116909433
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile (CID 116955736) is 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile is CNC(c1cc2c(cc1C)OCCO2)C(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile?
The InChIKey is LDOMUJQNIZCDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-12-13(19-6-5-18-12)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile?
2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile has a molecular weight of 260.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile is sourced from PubChem (CID 116955736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).