4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one

C13H25NO — CID 547095

IUPAC4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h10-11H,6-9H2,1-5H3
InChIKeyGBQVZNKFIVRWDH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds2

About 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one

4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one (PubChem CID 547095) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
PubChem CID547095
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h10-11H,6-9H2,1-5H3
InChIKeyGBQVZNKFIVRWDH-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one (CID 547095) is 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one is CN(C)CC1CC(C(C)(C)C)CCC1=O.
What is the InChIKey of 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one?
The InChIKey is GBQVZNKFIVRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one?
4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 547095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).