5-methoxy-4-methylcyclohexa-1,5-dien-1-amine

C8H13NO — CID 70314240

IUPAC5-methoxy-4-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=CCC1C
InChIInChI=1S/C8H13NO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3,9H2,1-2H3
InChIKeyACKMDRKXVZABMI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.40
Rot. Bonds1

About 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine

5-methoxy-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 70314240) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-methoxy-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID70314240
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methoxy-4-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=CCC1C
InChIInChI=1S/C8H13NO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3,9H2,1-2H3
InChIKeyACKMDRKXVZABMI-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine (CID 70314240) is 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine is COC1=CC(N)=CCC1C.
What is the InChIKey of 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is ACKMDRKXVZABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3,9H2,1-2H3.
What are the key properties of 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine?
5-methoxy-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70314240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).