3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile

C12H20N2O — CID 63905879

IUPAC3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COC1CCCC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-14-12(8-13,10-6-7-10)9-15-11-4-2-3-5-11/h10-11,14H,2-7,9H2,1H3
InChIKeyRSIRJDSFBYIKLW-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds5

About 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile

3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63905879) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63905879
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COC1CCCC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-14-12(8-13,10-6-7-10)9-15-11-4-2-3-5-11/h10-11,14H,2-7,9H2,1H3
InChIKeyRSIRJDSFBYIKLW-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63905879) is 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(COC1CCCC1)C1CC1.
What is the InChIKey of 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is RSIRJDSFBYIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-12(8-13,10-6-7-10)9-15-11-4-2-3-5-11/h10-11,14H,2-7,9H2,1H3.
What are the key properties of 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile?
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63905879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).