2,4,6-trichloro-N-(cyclopentylideneamino)aniline

C11H11Cl3N2 — CID 4609708

IUPAC2,4,6-trichloro-N-(cyclopentylideneamino)aniline
SMILESClc1cc(Cl)c(NN=C2CCCC2)c(Cl)c1
InChIInChI=1S/C11H11Cl3N2/c12-7-5-9(13)11(10(14)6-7)16-15-8-3-1-2-4-8/h5-6,16H,1-4H2
InChIKeyQLUYJVCQBJTKNB-UHFFFAOYSA-N
MW277.58 g/mol
LogP4.99
Rot. Bonds2

About 2,4,6-trichloro-N-(cyclopentylideneamino)aniline

2,4,6-trichloro-N-(cyclopentylideneamino)aniline (PubChem CID 4609708) has the molecular formula C11H11Cl3N2 and a molecular weight of 277.58 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(cyclopentylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(cyclopentylideneamino)aniline
PubChem CID4609708
Molecular FormulaC11H11Cl3N2
Molecular Weight277.58 g/mol
Exact Mass276.00
IUPAC Name2,4,6-trichloro-N-(cyclopentylideneamino)aniline
SMILESClc1cc(Cl)c(NN=C2CCCC2)c(Cl)c1
InChIInChI=1S/C11H11Cl3N2/c12-7-5-9(13)11(10(14)6-7)16-15-8-3-1-2-4-8/h5-6,16H,1-4H2
InChIKeyQLUYJVCQBJTKNB-UHFFFAOYSA-N
XLogP4.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(cyclopentylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(cyclopentylideneamino)aniline (CID 4609708) is 2,4,6-trichloro-N-(cyclopentylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(cyclopentylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(cyclopentylideneamino)aniline is Clc1cc(Cl)c(NN=C2CCCC2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(cyclopentylideneamino)aniline?
The InChIKey is QLUYJVCQBJTKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2/c12-7-5-9(13)11(10(14)6-7)16-15-8-3-1-2-4-8/h5-6,16H,1-4H2.
What are the key properties of 2,4,6-trichloro-N-(cyclopentylideneamino)aniline?
2,4,6-trichloro-N-(cyclopentylideneamino)aniline has a molecular weight of 277.58 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(cyclopentylideneamino)aniline is sourced from PubChem (CID 4609708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).