2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile

C15H27N3 — CID 63912507

IUPAC2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H27N3/c1-4-17-15(11-16,13-5-6-13)12-18-9-7-14(2,3)8-10-18/h13,17H,4-10,12H2,1-3H3
InChIKeyOTHKJFIJFRTIRN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds5

About 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile (PubChem CID 63912507) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
PubChem CID63912507
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H27N3/c1-4-17-15(11-16,13-5-6-13)12-18-9-7-14(2,3)8-10-18/h13,17H,4-10,12H2,1-3H3
InChIKeyOTHKJFIJFRTIRN-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile (CID 63912507) is 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)(CN1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile?
The InChIKey is OTHKJFIJFRTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-17-15(11-16,13-5-6-13)12-18-9-7-14(2,3)8-10-18/h13,17H,4-10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63912507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).