2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile

C9H16N2O — CID 43151549

IUPAC2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)C1CCOC1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9(5-10)8-3-4-12-6-8/h7-9,11H,3-4,6H2,1-2H3
InChIKeyWMLZTYDKXKUPSB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.91
Rot. Bonds3

About 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile

2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 43151549) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile
PubChem CID43151549
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)C1CCOC1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9(5-10)8-3-4-12-6-8/h7-9,11H,3-4,6H2,1-2H3
InChIKeyWMLZTYDKXKUPSB-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile (CID 43151549) is 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile is CC(C)NC(C#N)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is WMLZTYDKXKUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-9(5-10)8-3-4-12-6-8/h7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile?
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 168.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 43151549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).