7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine

C10H15NO — CID 145474083

IUPAC7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CC=CC(C)(C)C=C1N
InChIInChI=1S/C10H15NO/c1-10(2)6-4-5-9(12-3)8(11)7-10/h4-7H,11H2,1-3H3
InChIKeyJUPKRACGYSQJLO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.96
Rot. Bonds1

About 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine

7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 145474083) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID145474083
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CC=CC(C)(C)C=C1N
InChIInChI=1S/C10H15NO/c1-10(2)6-4-5-9(12-3)8(11)7-10/h4-7H,11H2,1-3H3
InChIKeyJUPKRACGYSQJLO-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine (CID 145474083) is 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine is COC1=CC=CC(C)(C)C=C1N.
What is the InChIKey of 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is JUPKRACGYSQJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)6-4-5-9(12-3)8(11)7-10/h4-7H,11H2,1-3H3.
What are the key properties of 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine?
7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3-dimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 145474083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).