2-[(2-methoxy-2-methylpropyl)amino]propanenitrile

C8H16N2O — CID 104760516

IUPAC2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
SMILESCOC(C)(C)CNC(C)C#N
InChIInChI=1S/C8H16N2O/c1-7(5-9)10-6-8(2,3)11-4/h7,10H,6H2,1-4H3
InChIKeyPFYXEDVADMQQGL-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds4

About 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile

2-[(2-methoxy-2-methylpropyl)amino]propanenitrile (PubChem CID 104760516) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
PubChem CID104760516
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
SMILESCOC(C)(C)CNC(C)C#N
InChIInChI=1S/C8H16N2O/c1-7(5-9)10-6-8(2,3)11-4/h7,10H,6H2,1-4H3
InChIKeyPFYXEDVADMQQGL-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130700
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
3-[(2-methoxy-2-methylpropyl)amino]-N-methylbutanamide
CID 115728614
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
CID 115130612
N-(2-methoxy-2-methylpropyl)-2,2-dimethylpropan-1-amine
CID 115656153
2-(2-methylbutylamino)propanenitrile
CID 62692860
2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
2-[[2-(2-chloro-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130668
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile?
The IUPAC name of 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile (CID 104760516) is 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile is COC(C)(C)CNC(C)C#N.
What is the InChIKey of 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile?
The InChIKey is PFYXEDVADMQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(5-9)10-6-8(2,3)11-4/h7,10H,6H2,1-4H3.
What are the key properties of 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile?
2-[(2-methoxy-2-methylpropyl)amino]propanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 104760516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).