2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile

C13H23N3 — CID 63912714

IUPAC2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
SMILESCCC1CCN(CC(N)(C#N)C2CC2)CC1
InChIInChI=1S/C13H23N3/c1-2-11-5-7-16(8-6-11)10-13(15,9-14)12-3-4-12/h11-12H,2-8,10,15H2,1H3
InChIKeyOPHQZEMVRAIEQE-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile

2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile (PubChem CID 63912714) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
PubChem CID63912714
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
SMILESCCC1CCN(CC(N)(C#N)C2CC2)CC1
InChIInChI=1S/C13H23N3/c1-2-11-5-7-16(8-6-11)10-13(15,9-14)12-3-4-12/h11-12H,2-8,10,15H2,1H3
InChIKeyOPHQZEMVRAIEQE-UHFFFAOYSA-N
XLogP1.74
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile (CID 63912714) is 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile is CCC1CCN(CC(N)(C#N)C2CC2)CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile?
The InChIKey is OPHQZEMVRAIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-11-5-7-16(8-6-11)10-13(15,9-14)12-3-4-12/h11-12H,2-8,10,15H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile?
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 63912714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).