7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine

C9H13NO — CID 142187500

IUPAC7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=CC=CCC=C1OC
InChIInChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-4,6-7,10H,5H2,1-2H3
InChIKeyQMXPICNAWLWCNK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds2

About 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine

7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 142187500) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID142187500
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=CC=CCC=C1OC
InChIInChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-4,6-7,10H,5H2,1-2H3
InChIKeyQMXPICNAWLWCNK-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine (CID 142187500) is 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine is CNC1=CC=CCC=C1OC.
What is the InChIKey of 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is QMXPICNAWLWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 142187500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).