2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile

C8H14N2O — CID 62587847

IUPAC2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile
SMILESCC(C#N)(NCCO)C1CC1
InChIInChI=1S/C8H14N2O/c1-8(6-9,7-2-3-7)10-4-5-11/h7,10-11H,2-5H2,1H3
InChIKeyCMFZVNDMQXSVLM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds4

About 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile

2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile (PubChem CID 62587847) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile
PubChem CID62587847
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile
SMILESCC(C#N)(NCCO)C1CC1
InChIInChI=1S/C8H14N2O/c1-8(6-9,7-2-3-7)10-4-5-11/h7,10-11H,2-5H2,1H3
InChIKeyCMFZVNDMQXSVLM-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile (CID 62587847) is 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile is CC(C#N)(NCCO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile?
The InChIKey is CMFZVNDMQXSVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(6-9,7-2-3-7)10-4-5-11/h7,10-11H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile?
2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile is sourced from PubChem (CID 62587847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).