1-[1-(4-aminoanilino)cyclohexyl]ethanone

C14H20N2O — CID 70538433

IUPAC1-[1-(4-aminoanilino)cyclohexyl]ethanone
SMILESCC(=O)C1(Nc2ccc(N)cc2)CCCCC1
InChIInChI=1S/C14H20N2O/c1-11(17)14(9-3-2-4-10-14)16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10,15H2,1H3
InChIKeyBQDJMSAVAIZYEO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.97
Rot. Bonds3

About 1-[1-(4-aminoanilino)cyclohexyl]ethanone

1-[1-(4-aminoanilino)cyclohexyl]ethanone (PubChem CID 70538433) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(4-aminoanilino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-aminoanilino)cyclohexyl]ethanone
PubChem CID70538433
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-(4-aminoanilino)cyclohexyl]ethanone
SMILESCC(=O)C1(Nc2ccc(N)cc2)CCCCC1
InChIInChI=1S/C14H20N2O/c1-11(17)14(9-3-2-4-10-14)16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10,15H2,1H3
InChIKeyBQDJMSAVAIZYEO-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminoanilino)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(4-aminoanilino)cyclohexyl]ethanone (CID 70538433) is 1-[1-(4-aminoanilino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(4-aminoanilino)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(4-aminoanilino)cyclohexyl]ethanone is CC(=O)C1(Nc2ccc(N)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-aminoanilino)cyclohexyl]ethanone?
The InChIKey is BQDJMSAVAIZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(17)14(9-3-2-4-10-14)16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10,15H2,1H3.
What are the key properties of 1-[1-(4-aminoanilino)cyclohexyl]ethanone?
1-[1-(4-aminoanilino)cyclohexyl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminoanilino)cyclohexyl]ethanone is sourced from PubChem (CID 70538433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).