2-amino-6-cyclohexylbenzonitrile

C13H16N2 — CID 129240388

IUPAC2-amino-6-cyclohexylbenzonitrile
SMILESN#Cc1c(N)cccc1C1CCCCC1
InChIInChI=1S/C13H16N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,15H2
InChIKeyZALMCYSOPAIMMK-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.19
Rot. Bonds1

About 2-amino-6-cyclohexylbenzonitrile

2-amino-6-cyclohexylbenzonitrile (PubChem CID 129240388) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-amino-6-cyclohexylbenzonitrile.

Molecular Properties

Compound Name2-amino-6-cyclohexylbenzonitrile
PubChem CID129240388
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-amino-6-cyclohexylbenzonitrile
SMILESN#Cc1c(N)cccc1C1CCCCC1
InChIInChI=1S/C13H16N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,15H2
InChIKeyZALMCYSOPAIMMK-UHFFFAOYSA-N
XLogP3.19
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclohexylbenzonitrile?
The IUPAC name of 2-amino-6-cyclohexylbenzonitrile (CID 129240388) is 2-amino-6-cyclohexylbenzonitrile.
What is the SMILES notation for 2-amino-6-cyclohexylbenzonitrile?
The canonical SMILES for 2-amino-6-cyclohexylbenzonitrile is N#Cc1c(N)cccc1C1CCCCC1.
What is the InChIKey of 2-amino-6-cyclohexylbenzonitrile?
The InChIKey is ZALMCYSOPAIMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,15H2.
What are the key properties of 2-amino-6-cyclohexylbenzonitrile?
2-amino-6-cyclohexylbenzonitrile has a molecular weight of 200.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclohexylbenzonitrile is sourced from PubChem (CID 129240388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).