2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile

C12H23N3 — CID 62632304

IUPAC2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile
SMILESCN(C)CCNC(C)(C#N)C1CCCC1
InChIInChI=1S/C12H23N3/c1-12(10-13,11-6-4-5-7-11)14-8-9-15(2)3/h11,14H,4-9H2,1-3H3
InChIKeyOKKCXIYQKINNAS-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile

2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile (PubChem CID 62632304) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile
PubChem CID62632304
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile
SMILESCN(C)CCNC(C)(C#N)C1CCCC1
InChIInChI=1S/C12H23N3/c1-12(10-13,11-6-4-5-7-11)14-8-9-15(2)3/h11,14H,4-9H2,1-3H3
InChIKeyOKKCXIYQKINNAS-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile?
The IUPAC name of 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile (CID 62632304) is 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile.
What is the SMILES notation for 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile?
The canonical SMILES for 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile is CN(C)CCNC(C)(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile?
The InChIKey is OKKCXIYQKINNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(10-13,11-6-4-5-7-11)14-8-9-15(2)3/h11,14H,4-9H2,1-3H3.
What are the key properties of 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile?
2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-(dimethylamino)ethylamino]propanenitrile is sourced from PubChem (CID 62632304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).