2-(2-hydroxyethylamino)-2-methylpentanenitrile

C8H16N2O — CID 62586594

IUPAC2-(2-hydroxyethylamino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)NCCO
InChIInChI=1S/C8H16N2O/c1-3-4-8(2,7-9)10-5-6-11/h10-11H,3-6H2,1-2H3
InChIKeyFAHPWBFUVBCFDB-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.65
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-methylpentanenitrile

2-(2-hydroxyethylamino)-2-methylpentanenitrile (PubChem CID 62586594) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methylpentanenitrile
PubChem CID62586594
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(2-hydroxyethylamino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)NCCO
InChIInChI=1S/C8H16N2O/c1-3-4-8(2,7-9)10-5-6-11/h10-11H,3-6H2,1-2H3
InChIKeyFAHPWBFUVBCFDB-UHFFFAOYSA-N
XLogP0.65
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-methylpentanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methylpentanenitrile (CID 62586594) is 2-(2-hydroxyethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methylpentanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methylpentanenitrile is CCCC(C)(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methylpentanenitrile?
The InChIKey is FAHPWBFUVBCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-8(2,7-9)10-5-6-11/h10-11H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-methylpentanenitrile?
2-(2-hydroxyethylamino)-2-methylpentanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 62586594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).