1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine

C12H15NO2 — CID 57479931

IUPAC1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine
SMILESCNC(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C12H15NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h2-3,5,7-9,12-13H,4,6H2,1H3
InChIKeyHMCDTTBFXXBPTR-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine

1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine (PubChem CID 57479931) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine
PubChem CID57479931
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine
SMILESCNC(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C12H15NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h2-3,5,7-9,12-13H,4,6H2,1H3
InChIKeyHMCDTTBFXXBPTR-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine (CID 57479931) is 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine is CNC(C1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine?
The InChIKey is HMCDTTBFXXBPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h2-3,5,7-9,12-13H,4,6H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine?
1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 57479931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).