2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine

C10H17NO3 — CID 89291087

IUPAC2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine
SMILESCOCC1(N)CC=C(OC)C=C1OC
InChIInChI=1S/C10H17NO3/c1-12-7-10(11)5-4-8(13-2)6-9(10)14-3/h4,6H,5,7,11H2,1-3H3
InChIKeyRASJDCWERLRTJN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.79
Rot. Bonds4

About 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine

2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89291087) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89291087
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine
SMILESCOCC1(N)CC=C(OC)C=C1OC
InChIInChI=1S/C10H17NO3/c1-12-7-10(11)5-4-8(13-2)6-9(10)14-3/h4,6H,5,7,11H2,1-3H3
InChIKeyRASJDCWERLRTJN-UHFFFAOYSA-N
XLogP0.79
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine (CID 89291087) is 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine is COCC1(N)CC=C(OC)C=C1OC.
What is the InChIKey of 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is RASJDCWERLRTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-12-7-10(11)5-4-8(13-2)6-9(10)14-3/h4,6H,5,7,11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine?
2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 199.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-(methoxymethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89291087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).