3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

C13H22N2O2 — CID 4886957

IUPAC3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(CN2CCOCC2)=C(N)C1
InChIInChI=1S/C13H22N2O2/c1-13(2)7-11(14)10(12(16)8-13)9-15-3-5-17-6-4-15/h3-9,14H2,1-2H3
InChIKeyRWIRAZQUPWLQJA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.92
Rot. Bonds2

About 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (PubChem CID 4886957) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
PubChem CID4886957
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(CN2CCOCC2)=C(N)C1
InChIInChI=1S/C13H22N2O2/c1-13(2)7-11(14)10(12(16)8-13)9-15-3-5-17-6-4-15/h3-9,14H2,1-2H3
InChIKeyRWIRAZQUPWLQJA-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (CID 4886957) is 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is CC1(C)CC(=O)C(CN2CCOCC2)=C(N)C1.
What is the InChIKey of 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is RWIRAZQUPWLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)7-11(14)10(12(16)8-13)9-15-3-5-17-6-4-15/h3-9,14H2,1-2H3.
What are the key properties of 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 238.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 4886957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).