3-(diethylamino)-2-hydroxypropanenitrile

C7H14N2O — CID 24839888

IUPAC3-(diethylamino)-2-hydroxypropanenitrile
SMILESCCN(CC)CC(O)C#N
InChIInChI=1S/C7H14N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-4,6H2,1-2H3
InChIKeyZSXXDTMZLZFOEW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.21
Rot. Bonds4

About 3-(diethylamino)-2-hydroxypropanenitrile

3-(diethylamino)-2-hydroxypropanenitrile (PubChem CID 24839888) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(diethylamino)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name3-(diethylamino)-2-hydroxypropanenitrile
PubChem CID24839888
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(diethylamino)-2-hydroxypropanenitrile
SMILESCCN(CC)CC(O)C#N
InChIInChI=1S/C7H14N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-4,6H2,1-2H3
InChIKeyZSXXDTMZLZFOEW-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-hydroxypropanenitrile?
The IUPAC name of 3-(diethylamino)-2-hydroxypropanenitrile (CID 24839888) is 3-(diethylamino)-2-hydroxypropanenitrile.
What is the SMILES notation for 3-(diethylamino)-2-hydroxypropanenitrile?
The canonical SMILES for 3-(diethylamino)-2-hydroxypropanenitrile is CCN(CC)CC(O)C#N.
What is the InChIKey of 3-(diethylamino)-2-hydroxypropanenitrile?
The InChIKey is ZSXXDTMZLZFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-4,6H2,1-2H3.
What are the key properties of 3-(diethylamino)-2-hydroxypropanenitrile?
3-(diethylamino)-2-hydroxypropanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-hydroxypropanenitrile is sourced from PubChem (CID 24839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).