2-[(4-cyclohexylanilino)methyl]butanenitrile

C17H24N2 — CID 115253486

IUPAC2-[(4-cyclohexylanilino)methyl]butanenitrile
SMILESCCC(C#N)CNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2/c1-2-14(12-18)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,19H,2-7,13H2,1H3
InChIKeyHTKOXCQGHKWPLD-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.70
Rot. Bonds5

About 2-[(4-cyclohexylanilino)methyl]butanenitrile

2-[(4-cyclohexylanilino)methyl]butanenitrile (PubChem CID 115253486) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(4-cyclohexylanilino)methyl]butanenitrile.

Molecular Properties

Compound Name2-[(4-cyclohexylanilino)methyl]butanenitrile
PubChem CID115253486
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[(4-cyclohexylanilino)methyl]butanenitrile
SMILESCCC(C#N)CNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2/c1-2-14(12-18)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,19H,2-7,13H2,1H3
InChIKeyHTKOXCQGHKWPLD-UHFFFAOYSA-N
XLogP4.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylanilino)methyl]butanenitrile?
The IUPAC name of 2-[(4-cyclohexylanilino)methyl]butanenitrile (CID 115253486) is 2-[(4-cyclohexylanilino)methyl]butanenitrile.
What is the SMILES notation for 2-[(4-cyclohexylanilino)methyl]butanenitrile?
The canonical SMILES for 2-[(4-cyclohexylanilino)methyl]butanenitrile is CCC(C#N)CNc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylanilino)methyl]butanenitrile?
The InChIKey is HTKOXCQGHKWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-14(12-18)13-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,19H,2-7,13H2,1H3.
What are the key properties of 2-[(4-cyclohexylanilino)methyl]butanenitrile?
2-[(4-cyclohexylanilino)methyl]butanenitrile has a molecular weight of 256.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylanilino)methyl]butanenitrile is sourced from PubChem (CID 115253486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).