(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine

C10H17NO2 — CID 67926713

IUPAC(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=C(OC)CC(C)(CN)C=C1
InChIInChI=1S/C10H17NO2/c1-10(7-11)5-4-8(12-2)9(6-10)13-3/h4-5H,6-7,11H2,1-3H3
InChIKeyAXZNWYREAOATPR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.42
Rot. Bonds3

About (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine

(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 67926713) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID67926713
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=C(OC)CC(C)(CN)C=C1
InChIInChI=1S/C10H17NO2/c1-10(7-11)5-4-8(12-2)9(6-10)13-3/h4-5H,6-7,11H2,1-3H3
InChIKeyAXZNWYREAOATPR-UHFFFAOYSA-N
XLogP1.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine (CID 67926713) is (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine is COC1=C(OC)CC(C)(CN)C=C1.
What is the InChIKey of (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is AXZNWYREAOATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(7-11)5-4-8(12-2)9(6-10)13-3/h4-5H,6-7,11H2,1-3H3.
What are the key properties of (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 67926713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).