3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile

C10H20N2O — CID 102977792

IUPAC3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile
SMILESCOC(C)(C)CCN(C)CCC#N
InChIInChI=1S/C10H20N2O/c1-10(2,13-4)6-9-12(3)8-5-7-11/h5-6,8-9H2,1-4H3
InChIKeyUWJOYJIITUEIJD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.65
Rot. Bonds6

About 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile

3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile (PubChem CID 102977792) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile
PubChem CID102977792
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile
SMILESCOC(C)(C)CCN(C)CCC#N
InChIInChI=1S/C10H20N2O/c1-10(2,13-4)6-9-12(3)8-5-7-11/h5-6,8-9H2,1-4H3
InChIKeyUWJOYJIITUEIJD-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile (CID 102977792) is 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile is COC(C)(C)CCN(C)CCC#N.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile?
The InChIKey is UWJOYJIITUEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,13-4)6-9-12(3)8-5-7-11/h5-6,8-9H2,1-4H3.
What are the key properties of 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile?
3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)-methylamino]propanenitrile is sourced from PubChem (CID 102977792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).