2-amino-4-ethoxy-2-methylpentanenitrile

C8H16N2O — CID 64728183

IUPAC2-amino-4-ethoxy-2-methylpentanenitrile
SMILESCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C8H16N2O/c1-4-11-7(2)5-8(3,10)6-9/h7H,4-5,10H2,1-3H3
InChIKeyNOLMYPXBRZJIRZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-4-ethoxy-2-methylpentanenitrile

2-amino-4-ethoxy-2-methylpentanenitrile (PubChem CID 64728183) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-4-ethoxy-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-ethoxy-2-methylpentanenitrile
PubChem CID64728183
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-4-ethoxy-2-methylpentanenitrile
SMILESCCOC(C)CC(C)(N)C#N
InChIInChI=1S/C8H16N2O/c1-4-11-7(2)5-8(3,10)6-9/h7H,4-5,10H2,1-3H3
InChIKeyNOLMYPXBRZJIRZ-UHFFFAOYSA-N
XLogP1.04
TPSA59.04 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-ethoxy-2-methylpentanenitrile (CID 64728183) is 2-amino-4-ethoxy-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-ethoxy-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-ethoxy-2-methylpentanenitrile is CCOC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-4-ethoxy-2-methylpentanenitrile?
The InChIKey is NOLMYPXBRZJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-11-7(2)5-8(3,10)6-9/h7H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-4-ethoxy-2-methylpentanenitrile?
2-amino-4-ethoxy-2-methylpentanenitrile has a molecular weight of 156.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxy-2-methylpentanenitrile is sourced from PubChem (CID 64728183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).