3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one

C13H23NO — CID 154691812

IUPAC3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
SMILESCCCN(CC)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-5-7-14(6-2)11-8-12(15)10-13(3,4)9-11/h8H,5-7,9-10H2,1-4H3
InChIKeyGNAISETVXSNIEX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds4

About 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one

3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 154691812) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
PubChem CID154691812
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
SMILESCCCN(CC)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-5-7-14(6-2)11-8-12(15)10-13(3,4)9-11/h8H,5-7,9-10H2,1-4H3
InChIKeyGNAISETVXSNIEX-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CID 154691812) is 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one is CCCN(CC)C1=CC(=O)CC(C)(C)C1.
What is the InChIKey of 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is GNAISETVXSNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-7-14(6-2)11-8-12(15)10-13(3,4)9-11/h8H,5-7,9-10H2,1-4H3.
What are the key properties of 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 154691812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).