4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile

C12H20N2O — CID 63030163

IUPAC4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
SMILESN#CC(CCOC1CCCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-9-11(14-10-5-6-10)7-8-15-12-3-1-2-4-12/h10-12,14H,1-8H2
InChIKeyDYBKUIMTUQXLRR-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.98
Rot. Bonds6

About 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile

4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile (PubChem CID 63030163) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
PubChem CID63030163
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
SMILESN#CC(CCOC1CCCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-9-11(14-10-5-6-10)7-8-15-12-3-1-2-4-12/h10-12,14H,1-8H2
InChIKeyDYBKUIMTUQXLRR-UHFFFAOYSA-N
XLogP1.98
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile?
The IUPAC name of 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile (CID 63030163) is 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile.
What is the SMILES notation for 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile?
The canonical SMILES for 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile is N#CC(CCOC1CCCC1)NC1CC1.
What is the InChIKey of 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile?
The InChIKey is DYBKUIMTUQXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-11(14-10-5-6-10)7-8-15-12-3-1-2-4-12/h10-12,14H,1-8H2.
What are the key properties of 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile?
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile is sourced from PubChem (CID 63030163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).