2-anilino-2-butylhexanenitrile

C16H24N2 — CID 46193422

IUPAC2-anilino-2-butylhexanenitrile
SMILESCCCCC(C#N)(CCCC)Nc1ccccc1
InChIInChI=1S/C16H24N2/c1-3-5-12-16(14-17,13-6-4-2)18-15-10-8-7-9-11-15/h7-11,18H,3-6,12-13H2,1-2H3
InChIKeyPYGDAWKEELGYDU-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.74
Rot. Bonds8

About 2-anilino-2-butylhexanenitrile

2-anilino-2-butylhexanenitrile (PubChem CID 46193422) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-anilino-2-butylhexanenitrile.

Molecular Properties

Compound Name2-anilino-2-butylhexanenitrile
PubChem CID46193422
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-anilino-2-butylhexanenitrile
SMILESCCCCC(C#N)(CCCC)Nc1ccccc1
InChIInChI=1S/C16H24N2/c1-3-5-12-16(14-17,13-6-4-2)18-15-10-8-7-9-11-15/h7-11,18H,3-6,12-13H2,1-2H3
InChIKeyPYGDAWKEELGYDU-UHFFFAOYSA-N
XLogP4.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-butylhexanenitrile?
The IUPAC name of 2-anilino-2-butylhexanenitrile (CID 46193422) is 2-anilino-2-butylhexanenitrile.
What is the SMILES notation for 2-anilino-2-butylhexanenitrile?
The canonical SMILES for 2-anilino-2-butylhexanenitrile is CCCCC(C#N)(CCCC)Nc1ccccc1.
What is the InChIKey of 2-anilino-2-butylhexanenitrile?
The InChIKey is PYGDAWKEELGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-5-12-16(14-17,13-6-4-2)18-15-10-8-7-9-11-15/h7-11,18H,3-6,12-13H2,1-2H3.
What are the key properties of 2-anilino-2-butylhexanenitrile?
2-anilino-2-butylhexanenitrile has a molecular weight of 244.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-butylhexanenitrile is sourced from PubChem (CID 46193422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).