4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine

C11H17NO2 — CID 138510953

IUPAC4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CC(N(C)C)=CCC(OC)=C1
InChIInChI=1S/C11H17NO2/c1-12(2)9-5-6-10(13-3)8-11(7-9)14-4/h5,7-8H,6H2,1-4H3
InChIKeyRDWJVNSVVIIPHN-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.90
Rot. Bonds3

About 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine

4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 138510953) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID138510953
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CC(N(C)C)=CCC(OC)=C1
InChIInChI=1S/C11H17NO2/c1-12(2)9-5-6-10(13-3)8-11(7-9)14-4/h5,7-8H,6H2,1-4H3
InChIKeyRDWJVNSVVIIPHN-UHFFFAOYSA-N
XLogP1.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine (CID 138510953) is 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine is COC1=CC(N(C)C)=CCC(OC)=C1.
What is the InChIKey of 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is RDWJVNSVVIIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(2)9-5-6-10(13-3)8-11(7-9)14-4/h5,7-8H,6H2,1-4H3.
What are the key properties of 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine?
4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 195.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 138510953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).