2-(cyclohexylideneamino)aniline

C12H16N2 — CID 15399274

IUPAC2-(cyclohexylideneamino)aniline
SMILESNc1ccccc1N=C1CCCCC1
InChIInChI=1S/C12H16N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-9H,1-3,6-7,13H2
InChIKeyICYHZQBACOKJMD-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds1

About 2-(cyclohexylideneamino)aniline

2-(cyclohexylideneamino)aniline (PubChem CID 15399274) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(cyclohexylideneamino)aniline.

Molecular Properties

Compound Name2-(cyclohexylideneamino)aniline
PubChem CID15399274
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(cyclohexylideneamino)aniline
SMILESNc1ccccc1N=C1CCCCC1
InChIInChI=1S/C12H16N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-9H,1-3,6-7,13H2
InChIKeyICYHZQBACOKJMD-UHFFFAOYSA-N
XLogP3.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylideneamino)aniline?
The IUPAC name of 2-(cyclohexylideneamino)aniline (CID 15399274) is 2-(cyclohexylideneamino)aniline.
What is the SMILES notation for 2-(cyclohexylideneamino)aniline?
The canonical SMILES for 2-(cyclohexylideneamino)aniline is Nc1ccccc1N=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylideneamino)aniline?
The InChIKey is ICYHZQBACOKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-9H,1-3,6-7,13H2.
What are the key properties of 2-(cyclohexylideneamino)aniline?
2-(cyclohexylideneamino)aniline has a molecular weight of 188.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylideneamino)aniline is sourced from PubChem (CID 15399274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).