3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile

C12H20N2O — CID 106204150

IUPAC3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile
SMILESN#CC(COCCC1CCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-8-12(14-11-4-5-11)9-15-7-6-10-2-1-3-10/h10-12,14H,1-7,9H2
InChIKeyNNCBLJGUTRSAPG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds7

About 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile

3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile (PubChem CID 106204150) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile
PubChem CID106204150
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile
SMILESN#CC(COCCC1CCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-8-12(14-11-4-5-11)9-15-7-6-10-2-1-3-10/h10-12,14H,1-7,9H2
InChIKeyNNCBLJGUTRSAPG-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile (CID 106204150) is 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile is N#CC(COCCC1CCC1)NC1CC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile?
The InChIKey is NNCBLJGUTRSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-8-12(14-11-4-5-11)9-15-7-6-10-2-1-3-10/h10-12,14H,1-7,9H2.
What are the key properties of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile?
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 106204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).