4-(2-hydroxyethylamino)oxane-4-carbonitrile

C8H14N2O2 — CID 62585517

IUPAC4-(2-hydroxyethylamino)oxane-4-carbonitrile
SMILESN#CC1(NCCO)CCOCC1
InChIInChI=1S/C8H14N2O2/c9-7-8(10-3-4-11)1-5-12-6-2-8/h10-11H,1-6H2
InChIKeyGBMNFFXNERZGPV-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.36
Rot. Bonds3

About 4-(2-hydroxyethylamino)oxane-4-carbonitrile

4-(2-hydroxyethylamino)oxane-4-carbonitrile (PubChem CID 62585517) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)oxane-4-carbonitrile
PubChem CID62585517
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-(2-hydroxyethylamino)oxane-4-carbonitrile
SMILESN#CC1(NCCO)CCOCC1
InChIInChI=1S/C8H14N2O2/c9-7-8(10-3-4-11)1-5-12-6-2-8/h10-11H,1-6H2
InChIKeyGBMNFFXNERZGPV-UHFFFAOYSA-N
XLogP-0.36
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyethylamino)oxane-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)oxane-4-carbonitrile?
The IUPAC name of 4-(2-hydroxyethylamino)oxane-4-carbonitrile (CID 62585517) is 4-(2-hydroxyethylamino)oxane-4-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyethylamino)oxane-4-carbonitrile?
The canonical SMILES for 4-(2-hydroxyethylamino)oxane-4-carbonitrile is N#CC1(NCCO)CCOCC1.
What is the InChIKey of 4-(2-hydroxyethylamino)oxane-4-carbonitrile?
The InChIKey is GBMNFFXNERZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7-8(10-3-4-11)1-5-12-6-2-8/h10-11H,1-6H2.
What are the key properties of 4-(2-hydroxyethylamino)oxane-4-carbonitrile?
4-(2-hydroxyethylamino)oxane-4-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)oxane-4-carbonitrile is sourced from PubChem (CID 62585517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).