6-methoxy-1-methylcyclohexa-2,4-dien-1-amine

C8H13NO — CID 69324295

IUPAC6-methoxy-1-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(C)N
InChIInChI=1S/C8H13NO/c1-8(9)6-4-3-5-7(8)10-2/h3-7H,9H2,1-2H3
InChIKeyNVUZTIBCMMIRES-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds1

About 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine

6-methoxy-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 69324295) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID69324295
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-methoxy-1-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(C)N
InChIInChI=1S/C8H13NO/c1-8(9)6-4-3-5-7(8)10-2/h3-7H,9H2,1-2H3
InChIKeyNVUZTIBCMMIRES-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine (CID 69324295) is 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine is COC1C=CC=CC1(C)N.
What is the InChIKey of 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is NVUZTIBCMMIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(9)6-4-3-5-7(8)10-2/h3-7H,9H2,1-2H3.
What are the key properties of 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine?
6-methoxy-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69324295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).