2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile

C10H18N2O2 — CID 139729827

IUPAC2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
SMILESCNC(C)(C#N)COC1CCCCO1
InChIInChI=1S/C10H18N2O2/c1-10(7-11,12-2)8-14-9-5-3-4-6-13-9/h9,12H,3-6,8H2,1-2H3
InChIKeyACRXQJVGWWIFMI-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.03
Rot. Bonds4

About 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile

2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile (PubChem CID 139729827) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
PubChem CID139729827
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
SMILESCNC(C)(C#N)COC1CCCCO1
InChIInChI=1S/C10H18N2O2/c1-10(7-11,12-2)8-14-9-5-3-4-6-13-9/h9,12H,3-6,8H2,1-2H3
InChIKeyACRXQJVGWWIFMI-UHFFFAOYSA-N
XLogP1.03
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-7-[(2R)-oxan-2-yl]oxyheptanenitrile
CID 129364886
CID 88913892
CID 88913892
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
magnesium;2-ethoxyoxane;dichloride
CID 158421621
5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
CID 129364883
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(6-methylheptoxy)oxane
CID 139685112
N-ethyl-2-(oxan-2-yloxy)ethanamine
CID 14435554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile (CID 139729827) is 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile is CNC(C)(C#N)COC1CCCCO1.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile?
The InChIKey is ACRXQJVGWWIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(7-11,12-2)8-14-9-5-3-4-6-13-9/h9,12H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile?
2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile has a molecular weight of 198.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile is sourced from PubChem (CID 139729827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).