3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane

C15H30N2O — CID 106003150

IUPAC3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane
SMILESCC1CNCC(C)CN(CCC2CCCCO2)C1
InChIInChI=1S/C15H30N2O/c1-13-9-16-10-14(2)12-17(11-13)7-6-15-5-3-4-8-18-15/h13-16H,3-12H2,1-2H3
InChIKeyJUJMOSHECRBQMJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds3

About 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane

3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane (PubChem CID 106003150) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane.

Molecular Properties

Compound Name3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane
PubChem CID106003150
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane
SMILESCC1CNCC(C)CN(CCC2CCCCO2)C1
InChIInChI=1S/C15H30N2O/c1-13-9-16-10-14(2)12-17(11-13)7-6-15-5-3-4-8-18-15/h13-16H,3-12H2,1-2H3
InChIKeyJUJMOSHECRBQMJ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 131165985
[6-methyl-4-[2-(oxolan-2-yl)ethyl]morpholin-2-yl]methanamine
CID 102938890
N,5-dimethyl-N-(oxan-2-ylmethyl)piperidin-3-amine
CID 115373417
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane
CID 63827412
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
2-[2-(4-methylpiperidin-1-yl)ethyl]morpholine
CID 66428554
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
5-methyl-1-(oxan-2-ylmethyl)piperidin-3-amine
CID 79993170
2-(oxan-2-ylmethyl)oxane
CID 67860654

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane?
The IUPAC name of 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane (CID 106003150) is 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane.
What is the SMILES notation for 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane?
The canonical SMILES for 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane is CC1CNCC(C)CN(CCC2CCCCO2)C1.
What is the InChIKey of 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane?
The InChIKey is JUJMOSHECRBQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-9-16-10-14(2)12-17(11-13)7-6-15-5-3-4-8-18-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane?
3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane has a molecular weight of 254.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane is sourced from PubChem (CID 106003150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).