4-chloro-N-[(4-methylcyclohexylidene)amino]aniline

C13H17ClN2 — CID 9015420

IUPAC4-chloro-N-[(4-methylcyclohexylidene)amino]aniline
SMILESCC1CCC(=NNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h4-5,8-10,16H,2-3,6-7H2,1H3/b15-12-
InChIKeyCUKIDOYTBKZRFS-QINSGFPZSA-N
MW236.75 g/mol
LogP4.32
Rot. Bonds2

About 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline

4-chloro-N-[(4-methylcyclohexylidene)amino]aniline (PubChem CID 9015420) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(4-methylcyclohexylidene)amino]aniline
PubChem CID9015420
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name4-chloro-N-[(4-methylcyclohexylidene)amino]aniline
SMILESCC1CCC(=NNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h4-5,8-10,16H,2-3,6-7H2,1H3/b15-12-
InChIKeyCUKIDOYTBKZRFS-QINSGFPZSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 54.32
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 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline?
The IUPAC name of 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline (CID 9015420) is 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline.
What is the SMILES notation for 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline?
The canonical SMILES for 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline is CC1CCC(=NNc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline?
The InChIKey is CUKIDOYTBKZRFS-QINSGFPZSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h4-5,8-10,16H,2-3,6-7H2,1H3/b15-12-.
What are the key properties of 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline?
4-chloro-N-[(4-methylcyclohexylidene)amino]aniline has a molecular weight of 236.75 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylcyclohexylidene)amino]aniline is sourced from PubChem (CID 9015420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).