1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane

C15H24N2O2 — CID 117014758

IUPAC1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane
SMILESCOc1ccc(OC)c(N2CCCNCCC2C)c1
InChIInChI=1S/C15H24N2O2/c1-12-7-9-16-8-4-10-17(12)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyBILOYAUVTZGIBH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane

1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane (PubChem CID 117014758) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane
PubChem CID117014758
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane
SMILESCOc1ccc(OC)c(N2CCCNCCC2C)c1
InChIInChI=1S/C15H24N2O2/c1-12-7-9-16-8-4-10-17(12)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyBILOYAUVTZGIBH-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methyl-1,5-diazocane
CID 117014759
1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64938786
1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane
CID 82290876
1-(2,4-dimethoxyphenyl)-2-methyl-1,4-diazepane
CID 82297543
2-(2,5-dimethoxyphenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916612
1-(2-bromophenyl)-2-methyl-1,5-diazocane
CID 117014767
5-cyclopropyl-1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64932759
[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
CID 117022204
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
1-[2-(cyclobutylmethoxy)-5-methoxyphenyl]piperazine
CID 104707194
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane (CID 117014758) is 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane is COc1ccc(OC)c(N2CCCNCCC2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane?
The InChIKey is BILOYAUVTZGIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-7-9-16-8-4-10-17(12)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane?
1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane has a molecular weight of 264.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-methyl-1,5-diazocane is sourced from PubChem (CID 117014758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).