3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile

C11H18N2O — CID 62141603

IUPAC3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
SMILESCC(C#N)(COC1CCC1)NC1CC1
InChIInChI=1S/C11H18N2O/c1-11(7-12,13-9-5-6-9)8-14-10-3-2-4-10/h9-10,13H,2-6,8H2,1H3
InChIKeyPURQUXKGGNSDJW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.59
Rot. Bonds5

About 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile

3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile (PubChem CID 62141603) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
PubChem CID62141603
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
SMILESCC(C#N)(COC1CCC1)NC1CC1
InChIInChI=1S/C11H18N2O/c1-11(7-12,13-9-5-6-9)8-14-10-3-2-4-10/h9-10,13H,2-6,8H2,1H3
InChIKeyPURQUXKGGNSDJW-UHFFFAOYSA-N
XLogP1.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile?
The IUPAC name of 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile (CID 62141603) is 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile is CC(C#N)(COC1CCC1)NC1CC1.
What is the InChIKey of 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile?
The InChIKey is PURQUXKGGNSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(7-12,13-9-5-6-9)8-14-10-3-2-4-10/h9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile?
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile is sourced from PubChem (CID 62141603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).