2-(2-methylphenyl)-2-propan-2-ylpentanenitrile

C15H21N — CID 57318140

IUPAC2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
SMILESCCCC(C#N)(c1ccccc1C)C(C)C
InChIInChI=1S/C15H21N/c1-5-10-15(11-16,12(2)3)14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3
InChIKeyASPBOYNSBSIPLM-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile

2-(2-methylphenyl)-2-propan-2-ylpentanenitrile (PubChem CID 57318140) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
PubChem CID57318140
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
SMILESCCCC(C#N)(c1ccccc1C)C(C)C
InChIInChI=1S/C15H21N/c1-5-10-15(11-16,12(2)3)14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3
InChIKeyASPBOYNSBSIPLM-UHFFFAOYSA-N
XLogP4.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The IUPAC name of 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile (CID 57318140) is 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile is CCCC(C#N)(c1ccccc1C)C(C)C.
What is the InChIKey of 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The InChIKey is ASPBOYNSBSIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-10-15(11-16,12(2)3)14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
2-(2-methylphenyl)-2-propan-2-ylpentanenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 57318140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).