2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile

C9H18N2O — CID 62586061

IUPAC2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCCO
InChIInChI=1S/C9H18N2O/c1-4-8(2)9(3,7-10)11-5-6-12/h8,11-12H,4-6H2,1-3H3
InChIKeyWSPHGILAUOLUMZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.90
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile

2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile (PubChem CID 62586061) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
PubChem CID62586061
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCCO
InChIInChI=1S/C9H18N2O/c1-4-8(2)9(3,7-10)11-5-6-12/h8,11-12H,4-6H2,1-3H3
InChIKeyWSPHGILAUOLUMZ-UHFFFAOYSA-N
XLogP0.90
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile (CID 62586061) is 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile is CCC(C)C(C)(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile?
The InChIKey is WSPHGILAUOLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-8(2)9(3,7-10)11-5-6-12/h8,11-12H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile?
2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile has a molecular weight of 170.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile is sourced from PubChem (CID 62586061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).