7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine

C10H15NO — CID 142474983

IUPAC7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC(C)=CC=C1OC
InChIInChI=1S/C10H15NO/c1-8-4-6-9(11-2)10(12-3)7-5-8/h5-7,11H,4H2,1-3H3
InChIKeyJHBHPAXIUUBDRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds2

About 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine

7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 142474983) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID142474983
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC(C)=CC=C1OC
InChIInChI=1S/C10H15NO/c1-8-4-6-9(11-2)10(12-3)7-5-8/h5-7,11H,4H2,1-3H3
InChIKeyJHBHPAXIUUBDRH-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-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

(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
8-Methyl-4,6-dihydrocyclohepta[b][1,4]oxazine
CID 141792199
7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142187500
ethane;7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
CID 142474982
7-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 142475043
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 142506360
(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine
CID 143195765
ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
CID 143256258
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
7,8-Dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 145350584
7-ethoxy-N,3,5-trimethyl-3-methyliodanuidylcyclohepta-1,4,6-trien-1-amine
CID 145550016
6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 145660944

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine (CID 142474983) is 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine is CNC1=CCC(C)=CC=C1OC.
What is the InChIKey of 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is JHBHPAXIUUBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-6-9(11-2)10(12-3)7-5-8/h5-7,11H,4H2,1-3H3.
What are the key properties of 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine?
7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 142474983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).