(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile

C16H20N2 — CID 125496779

IUPAC(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile
SMILESCCC[C@@H](C)[C@](C#N)(CCC#N)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-8-14(2)16(13-18,11-7-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11H2,1-2H3/t14-,16-/m1/s1
InChIKeyVAGQCTXHUYJNDI-GDBMZVCRSA-N
MW240.35 g/mol
LogP4.19
Rot. Bonds6

About (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile

(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile (PubChem CID 125496779) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile
PubChem CID125496779
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile
SMILESCCC[C@@H](C)[C@](C#N)(CCC#N)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-8-14(2)16(13-18,11-7-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11H2,1-2H3/t14-,16-/m1/s1
InChIKeyVAGQCTXHUYJNDI-GDBMZVCRSA-N
XLogP4.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile?
The IUPAC name of (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile (CID 125496779) is (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile.
What is the SMILES notation for (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile?
The canonical SMILES for (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile is CCC[C@@H](C)[C@](C#N)(CCC#N)c1ccccc1.
What is the InChIKey of (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile?
The InChIKey is VAGQCTXHUYJNDI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-8-14(2)16(13-18,11-7-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile?
(2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile has a molecular weight of 240.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-pentan-2-yl]-2-phenylpentanedinitrile is sourced from PubChem (CID 125496779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).