3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile

C7H14N2O — CID 60649538

IUPAC3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CCO
InChIInChI=1S/C7H14N2O/c1-7(5-8)6-9(2)3-4-10/h7,10H,3-4,6H2,1-2H3
InChIKeyGKDIUYNECQOAGQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.07
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile

3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 60649538) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile
PubChem CID60649538
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CCO
InChIInChI=1S/C7H14N2O/c1-7(5-8)6-9(2)3-4-10/h7,10H,3-4,6H2,1-2H3
InChIKeyGKDIUYNECQOAGQ-UHFFFAOYSA-N
XLogP0.07
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile (CID 60649538) is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile is CC(C#N)CN(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is GKDIUYNECQOAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(5-8)6-9(2)3-4-10/h7,10H,3-4,6H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile?
3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 60649538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).