2-(cyclohexylidenemethyl)aniline

C13H17N — CID 19754672

IUPAC2-(cyclohexylidenemethyl)aniline
SMILESNc1ccccc1C=C1CCCCC1
InChIInChI=1S/C13H17N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-10H,1-3,6-7,14H2
InChIKeyJQUIHFGAFFFITH-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.62
Rot. Bonds1

About 2-(cyclohexylidenemethyl)aniline

2-(cyclohexylidenemethyl)aniline (PubChem CID 19754672) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(cyclohexylidenemethyl)aniline.

Molecular Properties

Compound Name2-(cyclohexylidenemethyl)aniline
PubChem CID19754672
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(cyclohexylidenemethyl)aniline
SMILESNc1ccccc1C=C1CCCCC1
InChIInChI=1S/C13H17N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-10H,1-3,6-7,14H2
InChIKeyJQUIHFGAFFFITH-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cyclohexylidenemethyl)aniline?
The IUPAC name of 2-(cyclohexylidenemethyl)aniline (CID 19754672) is 2-(cyclohexylidenemethyl)aniline.
What is the SMILES notation for 2-(cyclohexylidenemethyl)aniline?
The canonical SMILES for 2-(cyclohexylidenemethyl)aniline is Nc1ccccc1C=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethyl)aniline?
The InChIKey is JQUIHFGAFFFITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h4-5,8-10H,1-3,6-7,14H2.
What are the key properties of 2-(cyclohexylidenemethyl)aniline?
2-(cyclohexylidenemethyl)aniline has a molecular weight of 187.29 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethyl)aniline is sourced from PubChem (CID 19754672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).