4-(N,3,5-trimethylanilino)cyclohexan-1-one

C15H21NO — CID 114762165

IUPAC4-(N,3,5-trimethylanilino)cyclohexan-1-one
SMILESCc1cc(C)cc(N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO/c1-11-8-12(2)10-14(9-11)16(3)13-4-6-15(17)7-5-13/h8-10,13H,4-7H2,1-3H3
InChIKeyZFOAYGBFXKQFIF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds2

About 4-(N,3,5-trimethylanilino)cyclohexan-1-one

4-(N,3,5-trimethylanilino)cyclohexan-1-one (PubChem CID 114762165) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(N,3,5-trimethylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(N,3,5-trimethylanilino)cyclohexan-1-one
PubChem CID114762165
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(N,3,5-trimethylanilino)cyclohexan-1-one
SMILESCc1cc(C)cc(N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO/c1-11-8-12(2)10-14(9-11)16(3)13-4-6-15(17)7-5-13/h8-10,13H,4-7H2,1-3H3
InChIKeyZFOAYGBFXKQFIF-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(N,3,5-trimethylanilino)cyclohexan-1-one?
The IUPAC name of 4-(N,3,5-trimethylanilino)cyclohexan-1-one (CID 114762165) is 4-(N,3,5-trimethylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(N,3,5-trimethylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(N,3,5-trimethylanilino)cyclohexan-1-one is Cc1cc(C)cc(N(C)C2CCC(=O)CC2)c1.
What is the InChIKey of 4-(N,3,5-trimethylanilino)cyclohexan-1-one?
The InChIKey is ZFOAYGBFXKQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-12(2)10-14(9-11)16(3)13-4-6-15(17)7-5-13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-(N,3,5-trimethylanilino)cyclohexan-1-one?
4-(N,3,5-trimethylanilino)cyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,3,5-trimethylanilino)cyclohexan-1-one is sourced from PubChem (CID 114762165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).