3-methoxy-3-methylcyclohexa-1,5-dien-1-amine

C8H13NO — CID 145021091

IUPAC3-methoxy-3-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1(C)C=C(N)C=CC1
InChIInChI=1S/C8H13NO/c1-8(10-2)5-3-4-7(9)6-8/h3-4,6H,5,9H2,1-2H3
InChIKeyOHPORBCVDRTEEE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.19
Rot. Bonds1

About 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine

3-methoxy-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 145021091) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID145021091
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methoxy-3-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1(C)C=C(N)C=CC1
InChIInChI=1S/C8H13NO/c1-8(10-2)5-3-4-7(9)6-8/h3-4,6H,5,9H2,1-2H3
InChIKeyOHPORBCVDRTEEE-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine (CID 145021091) is 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine is COC1(C)C=C(N)C=CC1.
What is the InChIKey of 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is OHPORBCVDRTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(10-2)5-3-4-7(9)6-8/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine?
3-methoxy-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145021091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).