4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile

C16H24N2 — CID 6481

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IUPAC4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(CC(C#N)(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3
InChIKeyWFLSCFISQHLEED-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.44
Rot. Bonds5

About 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile

4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile (PubChem CID 6481) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
PubChem CID6481
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(CC(C#N)(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3
InChIKeyWFLSCFISQHLEED-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile?
The IUPAC name of 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile (CID 6481) is 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile is CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile?
The InChIKey is WFLSCFISQHLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3.
What are the key properties of 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile?
4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 6481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).