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

C14H27N3 — CID 62632305

IUPAC2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile
SMILESCCN(CC)CCNC(C)(C#N)C1CCCC1
InChIInChI=1S/C14H27N3/c1-4-17(5-2)11-10-16-14(3,12-15)13-8-6-7-9-13/h13,16H,4-11H2,1-3H3
InChIKeyXPSKARBCIBRTDC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds7

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

2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile (PubChem CID 62632305) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile
PubChem CID62632305
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile
SMILESCCN(CC)CCNC(C)(C#N)C1CCCC1
InChIInChI=1S/C14H27N3/c1-4-17(5-2)11-10-16-14(3,12-15)13-8-6-7-9-13/h13,16H,4-11H2,1-3H3
InChIKeyXPSKARBCIBRTDC-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
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-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile?
The IUPAC name of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile (CID 62632305) is 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile.
What is the SMILES notation for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile?
The canonical SMILES for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile is CCN(CC)CCNC(C)(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile?
The InChIKey is XPSKARBCIBRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-17(5-2)11-10-16-14(3,12-15)13-8-6-7-9-13/h13,16H,4-11H2,1-3H3.
What are the key properties of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile?
2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]propanenitrile is sourced from PubChem (CID 62632305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).