2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile

C25H32N2 — CID 23582575

IUPAC2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1)C1CCCC1)CCc1ccccc1
InChIInChI=1S/C25H32N2/c1-27(20-17-22-11-4-2-5-12-22)19-10-18-25(21-26,24-15-8-9-16-24)23-13-6-3-7-14-23/h2-7,11-14,24H,8-10,15-20H2,1H3
InChIKeyCLHBPHXOLLERMZ-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.59
Rot. Bonds9

About 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile

2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile (PubChem CID 23582575) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
PubChem CID23582575
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1)C1CCCC1)CCc1ccccc1
InChIInChI=1S/C25H32N2/c1-27(20-17-22-11-4-2-5-12-22)19-10-18-25(21-26,24-15-8-9-16-24)23-13-6-3-7-14-23/h2-7,11-14,24H,8-10,15-20H2,1H3
InChIKeyCLHBPHXOLLERMZ-UHFFFAOYSA-N
XLogP5.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile?
The IUPAC name of 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile (CID 23582575) is 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile.
What is the SMILES notation for 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile?
The canonical SMILES for 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile is CN(CCCC(C#N)(c1ccccc1)C1CCCC1)CCc1ccccc1.
What is the InChIKey of 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile?
The InChIKey is CLHBPHXOLLERMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-27(20-17-22-11-4-2-5-12-22)19-10-18-25(21-26,24-15-8-9-16-24)23-13-6-3-7-14-23/h2-7,11-14,24H,8-10,15-20H2,1H3.
What are the key properties of 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile?
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile has a molecular weight of 360.55 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile is sourced from PubChem (CID 23582575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).