1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine

C11H15NO2 — CID 142908142

IUPAC1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine
SMILESCNCC1COC2=C(C=CCC=C2)O1
InChIInChI=1S/C11H15NO2/c1-12-7-9-8-13-10-5-3-2-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYVUMZPNPVAGODR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds2

About 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine

1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine (PubChem CID 142908142) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine
PubChem CID142908142
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine
SMILESCNCC1COC2=C(C=CCC=C2)O1
InChIInChI=1S/C11H15NO2/c1-12-7-9-8-13-10-5-3-2-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYVUMZPNPVAGODR-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-(trifluoromethyl)-2H-pyran-2-yl]methanamine
CID 162548456
N-ethyl-2-(2H-pyran-6-yl)ethanamine
CID 139471600
N-[2-[2-(2-cyclohexa-1,5-dien-1-yloxyethoxy)ethoxy]ethyl]propan-1-amine
CID 141880851
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
1-Cyclohexa-1,5-dien-1-yloxy-3-(2-hydroxyethylamino)propan-2-ol;ethane
CID 142468551
2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine
CID 142560458
N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine
CID 142884056
3-[(dimethylsulfinamoylamino)methyl]-3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
CID 143496626
2-[(2-Ethoxycyclohexa-1,3-dien-1-yl)oxymethyl]morpholine
CID 144264917
2-[(6-Ethoxycyclohexa-1,5-dien-1-yl)oxymethyl]morpholine
CID 144264919
N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
CID 153330092
2-(1,4-dioxan-2-yl)-1H-azepine
CID 174311007

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine (CID 142908142) is 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine is CNCC1COC2=C(C=CCC=C2)O1.
What is the InChIKey of 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine?
The InChIKey is YVUMZPNPVAGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-7-9-8-13-10-5-3-2-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine?
1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 142908142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).