2-(ethylamino)-2-(oxolan-3-yl)acetonitrile

C8H14N2O — CID 43115098

IUPAC2-(ethylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCOC1
InChIInChI=1S/C8H14N2O/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3
InChIKeyURDINQHDDAXMFI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.52
Rot. Bonds3

About 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile

2-(ethylamino)-2-(oxolan-3-yl)acetonitrile (PubChem CID 43115098) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-(oxolan-3-yl)acetonitrile
PubChem CID43115098
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(ethylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCOC1
InChIInChI=1S/C8H14N2O/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3
InChIKeyURDINQHDDAXMFI-UHFFFAOYSA-N
XLogP0.52
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile (CID 43115098) is 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile is CCNC(C#N)C1CCOC1.
What is the InChIKey of 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile?
The InChIKey is URDINQHDDAXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3.
What are the key properties of 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile?
2-(ethylamino)-2-(oxolan-3-yl)acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 43115098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).