2-[methyl(oxan-4-yl)amino]acetonitrile

C8H14N2O — CID 43611149

IUPAC2-[methyl(oxan-4-yl)amino]acetonitrile
SMILESCN(CC#N)C1CCOCC1
InChIInChI=1S/C8H14N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-3,5-7H2,1H3
InChIKeyNIYAXEBKPPZFIO-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.62
Rot. Bonds2

About 2-[methyl(oxan-4-yl)amino]acetonitrile

2-[methyl(oxan-4-yl)amino]acetonitrile (PubChem CID 43611149) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]acetonitrile
PubChem CID43611149
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[methyl(oxan-4-yl)amino]acetonitrile
SMILESCN(CC#N)C1CCOCC1
InChIInChI=1S/C8H14N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-3,5-7H2,1H3
InChIKeyNIYAXEBKPPZFIO-UHFFFAOYSA-N
XLogP0.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]acetonitrile (CID 43611149) is 2-[methyl(oxan-4-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]acetonitrile is CN(CC#N)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]acetonitrile?
The InChIKey is NIYAXEBKPPZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-3,5-7H2,1H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]acetonitrile?
2-[methyl(oxan-4-yl)amino]acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]acetonitrile is sourced from PubChem (CID 43611149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).