2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile

C16H23N3O — CID 82748972

IUPAC2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
SMILESCNC(C#N)(CN(C)C1CCOC1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13-15(9-10-20-13)19(3)12-16(11-17,18-2)14-7-5-4-6-8-14/h4-8,13,15,18H,9-10,12H2,1-3H3
InChIKeyLQCFXXOGLXLVFR-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.73
Rot. Bonds5

About 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile

2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile (PubChem CID 82748972) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
PubChem CID82748972
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
SMILESCNC(C#N)(CN(C)C1CCOC1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13-15(9-10-20-13)19(3)12-16(11-17,18-2)14-7-5-4-6-8-14/h4-8,13,15,18H,9-10,12H2,1-3H3
InChIKeyLQCFXXOGLXLVFR-UHFFFAOYSA-N
XLogP1.73
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile?
The IUPAC name of 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile (CID 82748972) is 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile is CNC(C#N)(CN(C)C1CCOC1C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile?
The InChIKey is LQCFXXOGLXLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-15(9-10-20-13)19(3)12-16(11-17,18-2)14-7-5-4-6-8-14/h4-8,13,15,18H,9-10,12H2,1-3H3.
What are the key properties of 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile?
2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile has a molecular weight of 273.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 82748972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).