4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine

C13H23NO2 — CID 70409675

IUPAC4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(C)C1(C)C=CC(OC)=C(OC)C1
InChIInChI=1S/C13H23NO2/c1-6-9-14(3)13(2)8-7-11(15-4)12(10-13)16-5/h7-8H,6,9-10H2,1-5H3
InChIKeyMBQSKOMRFANQLF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.55
Rot. Bonds5

About 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine

4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 70409675) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID70409675
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(C)C1(C)C=CC(OC)=C(OC)C1
InChIInChI=1S/C13H23NO2/c1-6-9-14(3)13(2)8-7-11(15-4)12(10-13)16-5/h7-8H,6,9-10H2,1-5H3
InChIKeyMBQSKOMRFANQLF-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine (CID 70409675) is 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine is CCCN(C)C1(C)C=CC(OC)=C(OC)C1.
What is the InChIKey of 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is MBQSKOMRFANQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-9-14(3)13(2)8-7-11(15-4)12(10-13)16-5/h7-8H,6,9-10H2,1-5H3.
What are the key properties of 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine?
4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70409675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).