2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile

C15H20N2O — CID 114994373

IUPAC2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C15H20N2O/c1-15(12-16,10-13-6-3-2-4-7-13)17-11-14-8-5-9-18-14/h2-4,6-7,14,17H,5,8-11H2,1H3
InChIKeyMULIZVWHHUEJOX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile

2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile (PubChem CID 114994373) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
PubChem CID114994373
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C15H20N2O/c1-15(12-16,10-13-6-3-2-4-7-13)17-11-14-8-5-9-18-14/h2-4,6-7,14,17H,5,8-11H2,1H3
InChIKeyMULIZVWHHUEJOX-UHFFFAOYSA-N
XLogP2.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile
CID 66179830
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide
CID 16763914
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
3,3-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
CID 66168021
2-methyl-6-(oxan-2-ylmethylamino)benzonitrile
CID 114003060
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111510673
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile (CID 114994373) is 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile is CC(C#N)(Cc1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile?
The InChIKey is MULIZVWHHUEJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(12-16,10-13-6-3-2-4-7-13)17-11-14-8-5-9-18-14/h2-4,6-7,14,17H,5,8-11H2,1H3.
What are the key properties of 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile?
2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 114994373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).