2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one

C14H23NO — CID 18320326

IUPAC2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(CN(CC)CC)C1=O
InChIInChI=1S/C14H23NO/c1-6-15(7-2)10-12-9-14(4,5)8-11(3)13(12)16/h9H,3,6-8,10H2,1-2,4-5H3
InChIKeyOUQYUHXLYSFIKO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds4

About 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one

2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (PubChem CID 18320326) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
PubChem CID18320326
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(CN(CC)CC)C1=O
InChIInChI=1S/C14H23NO/c1-6-15(7-2)10-12-9-14(4,5)8-11(3)13(12)16/h9H,3,6-8,10H2,1-2,4-5H3
InChIKeyOUQYUHXLYSFIKO-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-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 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The IUPAC name of 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (CID 18320326) is 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is C=C1CC(C)(C)C=C(CN(CC)CC)C1=O.
What is the InChIKey of 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The InChIKey is OUQYUHXLYSFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-15(7-2)10-12-9-14(4,5)8-11(3)13(12)16/h9H,3,6-8,10H2,1-2,4-5H3.
What are the key properties of 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 18320326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).