2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile

C12H24N2O2 — CID 106448774

IUPAC2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile
SMILESCC(C)COCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C12H24N2O2/c1-10(2)8-15-5-6-16-11(3)7-12(4,14)9-13/h10-11H,5-8,14H2,1-4H3
InChIKeyWTWKATTZYLYELM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.70
Rot. Bonds8

About 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile

2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile (PubChem CID 106448774) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile
PubChem CID106448774
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile
SMILESCC(C)COCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C12H24N2O2/c1-10(2)8-15-5-6-16-11(3)7-12(4,14)9-13/h10-11H,5-8,14H2,1-4H3
InChIKeyWTWKATTZYLYELM-UHFFFAOYSA-N
XLogP1.70
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64728179
2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
CID 64726569
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
CID 103489757
3-[2-(2-methylpropoxy)ethoxy]propanenitrile
CID 106447606
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanenitrile
CID 81062003
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
CID 64726049
2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
CID 64727930
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile (CID 106448774) is 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile is CC(C)COCCOC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile?
The InChIKey is WTWKATTZYLYELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)8-15-5-6-16-11(3)7-12(4,14)9-13/h10-11H,5-8,14H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile?
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile has a molecular weight of 228.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile is sourced from PubChem (CID 106448774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).