3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile

C15H25N3 — CID 63913340

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CC2CCC1C2)C1CC1
InChIInChI=1S/C15H25N3/c1-2-7-17-15(10-16,13-4-5-13)11-18-9-12-3-6-14(18)8-12/h12-14,17H,2-9,11H2,1H3
InChIKeyHNBIMXYTZMANDJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.14
Rot. Bonds6

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile

3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile (PubChem CID 63913340) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
PubChem CID63913340
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CC2CCC1C2)C1CC1
InChIInChI=1S/C15H25N3/c1-2-7-17-15(10-16,13-4-5-13)11-18-9-12-3-6-14(18)8-12/h12-14,17H,2-9,11H2,1H3
InChIKeyHNBIMXYTZMANDJ-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile (CID 63913340) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile is CCCNC(C#N)(CN1CC2CCC1C2)C1CC1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile?
The InChIKey is HNBIMXYTZMANDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-7-17-15(10-16,13-4-5-13)11-18-9-12-3-6-14(18)8-12/h12-14,17H,2-9,11H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile has a molecular weight of 247.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 63913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).