3-(N-cyclohexylanilino)propanenitrile

C15H20N2 — CID 43183263

IUPAC3-(N-cyclohexylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-11,13H2
InChIKeyGNISKYIGJASLTG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.74
Rot. Bonds4

About 3-(N-cyclohexylanilino)propanenitrile

3-(N-cyclohexylanilino)propanenitrile (PubChem CID 43183263) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(N-cyclohexylanilino)propanenitrile.

Molecular Properties

Compound Name3-(N-cyclohexylanilino)propanenitrile
PubChem CID43183263
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(N-cyclohexylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-11,13H2
InChIKeyGNISKYIGJASLTG-UHFFFAOYSA-N
XLogP3.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-cyclohexylanilino)propanenitrile?
The IUPAC name of 3-(N-cyclohexylanilino)propanenitrile (CID 43183263) is 3-(N-cyclohexylanilino)propanenitrile.
What is the SMILES notation for 3-(N-cyclohexylanilino)propanenitrile?
The canonical SMILES for 3-(N-cyclohexylanilino)propanenitrile is N#CCCN(c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-(N-cyclohexylanilino)propanenitrile?
The InChIKey is GNISKYIGJASLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-11,13H2.
What are the key properties of 3-(N-cyclohexylanilino)propanenitrile?
3-(N-cyclohexylanilino)propanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-cyclohexylanilino)propanenitrile is sourced from PubChem (CID 43183263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).