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

C6H12N2O — CID 11309517

IUPAC3-[2-hydroxyethyl(methyl)amino]propanenitrile
SMILESCN(CCO)CCC#N
InChIInChI=1S/C6H12N2O/c1-8(5-6-9)4-2-3-7/h9H,2,4-6H2,1H3
InChIKeyJHGANGDIYRLEJL-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.18
Rot. Bonds4

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

3-[2-hydroxyethyl(methyl)amino]propanenitrile (PubChem CID 11309517) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]propanenitrile
PubChem CID11309517
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-[2-hydroxyethyl(methyl)amino]propanenitrile
SMILESCN(CCO)CCC#N
InChIInChI=1S/C6H12N2O/c1-8(5-6-9)4-2-3-7/h9H,2,4-6H2,1H3
InChIKeyJHGANGDIYRLEJL-UHFFFAOYSA-N
XLogP-0.18
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.18
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]propanenitrile?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]propanenitrile (CID 11309517) is 3-[2-hydroxyethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]propanenitrile is CN(CCO)CCC#N.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]propanenitrile?
The InChIKey is JHGANGDIYRLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8(5-6-9)4-2-3-7/h9H,2,4-6H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]propanenitrile?
3-[2-hydroxyethyl(methyl)amino]propanenitrile has a molecular weight of 128.18 g/mol, XLogP of -0.18, 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]propanenitrile is sourced from PubChem (CID 11309517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).