4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine

C9H15NO — CID 45090908

IUPAC4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine
SMILESCOC1=CCC(N(C)C)=CC1
InChIInChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,7H,5-6H2,1-3H3
InChIKeyOQPYYLYRIDESNR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds2

About 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine

4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine (PubChem CID 45090908) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine
PubChem CID45090908
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine
SMILESCOC1=CCC(N(C)C)=CC1
InChIInChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,7H,5-6H2,1-3H3
InChIKeyOQPYYLYRIDESNR-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123735018

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine?
The IUPAC name of 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine (CID 45090908) is 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine?
The canonical SMILES for 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine is COC1=CCC(N(C)C)=CC1.
What is the InChIKey of 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine?
The InChIKey is OQPYYLYRIDESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,7H,5-6H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine?
4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 45090908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).