2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile

C10H18N2O — CID 43611170

IUPAC2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h9-10H,3-6,8H2,1-2H3
InChIKeyBFSZVJGWLBODIM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile

2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile (PubChem CID 43611170) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile
PubChem CID43611170
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h9-10H,3-6,8H2,1-2H3
InChIKeyBFSZVJGWLBODIM-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile (CID 43611170) is 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile is CC(C#N)CN(C)C1CCOCC1.
What is the InChIKey of 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile?
The InChIKey is BFSZVJGWLBODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile?
2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxan-4-yl)amino]propanenitrile is sourced from PubChem (CID 43611170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).