2-(dimethylamino)-2-phenylhexanenitrile

C14H20N2 — CID 44719412

IUPAC2-(dimethylamino)-2-phenylhexanenitrile
SMILESCCCCC(C#N)(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N2/c1-4-5-11-14(12-15,16(2)3)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyLCIZZLUGUOOUGL-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.16
Rot. Bonds5

About 2-(dimethylamino)-2-phenylhexanenitrile

2-(dimethylamino)-2-phenylhexanenitrile (PubChem CID 44719412) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylhexanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenylhexanenitrile
PubChem CID44719412
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(dimethylamino)-2-phenylhexanenitrile
SMILESCCCCC(C#N)(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N2/c1-4-5-11-14(12-15,16(2)3)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyLCIZZLUGUOOUGL-UHFFFAOYSA-N
XLogP3.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenylhexanenitrile?
The IUPAC name of 2-(dimethylamino)-2-phenylhexanenitrile (CID 44719412) is 2-(dimethylamino)-2-phenylhexanenitrile.
What is the SMILES notation for 2-(dimethylamino)-2-phenylhexanenitrile?
The canonical SMILES for 2-(dimethylamino)-2-phenylhexanenitrile is CCCCC(C#N)(c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-phenylhexanenitrile?
The InChIKey is LCIZZLUGUOOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-5-11-14(12-15,16(2)3)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-phenylhexanenitrile?
2-(dimethylamino)-2-phenylhexanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenylhexanenitrile is sourced from PubChem (CID 44719412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).