5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one

C17H23NO — CID 13115143

IUPAC5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one
SMILESCN(CCc1ccccc1)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C17H23NO/c1-17(2)12-15(11-16(19)13-17)18(3)10-9-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCUMFPYRUQJIBRD-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.43
Rot. Bonds4

About 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one

5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one (PubChem CID 13115143) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one
PubChem CID13115143
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one
SMILESCN(CCc1ccccc1)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C17H23NO/c1-17(2)12-15(11-16(19)13-17)18(3)10-9-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCUMFPYRUQJIBRD-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 154691812
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
chlorobenzene;3,5,5-trimethylcyclohex-2-en-1-one
CID 67926193
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
5,5-dimethyl-3-[(3-methylphenyl)methyl]cyclohex-2-en-1-one
CID 65177568
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
fluoromethane;methyl(2-phenylethyl)sulfamic acid
CID 154691947
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
1-[[methyl(2-phenylethyl)amino]methyl]cyclopropan-1-amine
CID 65487507
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one (CID 13115143) is 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one is CN(CCc1ccccc1)C1=CC(=O)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one?
The InChIKey is CUMFPYRUQJIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2)12-15(11-16(19)13-17)18(3)10-9-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one?
5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one is sourced from PubChem (CID 13115143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).