4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one

C17H25NO — CID 117029678

IUPAC4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCC(=O)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)13-5-7-14(8-6-13)18(4)15-9-11-16(19)12-10-15/h5-8,15H,9-12H2,1-4H3
InChIKeyJVRAYCBEKWRISV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one

4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one (PubChem CID 117029678) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
PubChem CID117029678
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCC(=O)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)13-5-7-14(8-6-13)18(4)15-9-11-16(19)12-10-15/h5-8,15H,9-12H2,1-4H3
InChIKeyJVRAYCBEKWRISV-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one?
The IUPAC name of 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one (CID 117029678) is 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one is CN(c1ccc(C(C)(C)C)cc1)C1CCC(=O)CC1.
What is the InChIKey of 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one?
The InChIKey is JVRAYCBEKWRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,3)13-5-7-14(8-6-13)18(4)15-9-11-16(19)12-10-15/h5-8,15H,9-12H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one?
4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one is sourced from PubChem (CID 117029678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).