6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane

C15H30N2O — CID 54973353

IUPAC6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
SMILESCCC1CCN(C(C)C2CCCO2)CC(C)CN1
InChIInChI=1S/C15H30N2O/c1-4-14-7-8-17(11-12(2)10-16-14)13(3)15-6-5-9-18-15/h12-16H,4-11H2,1-3H3
InChIKeySFHGZCBDEVBLPH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds3

About 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane

6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane (PubChem CID 54973353) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
PubChem CID54973353
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
SMILESCCC1CCN(C(C)C2CCCO2)CC(C)CN1
InChIInChI=1S/C15H30N2O/c1-4-14-7-8-17(11-12(2)10-16-14)13(3)15-6-5-9-18-15/h12-16H,4-11H2,1-3H3
InChIKeySFHGZCBDEVBLPH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane?
The IUPAC name of 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane (CID 54973353) is 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane.
What is the SMILES notation for 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane?
The canonical SMILES for 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane is CCC1CCN(C(C)C2CCCO2)CC(C)CN1.
What is the InChIKey of 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane?
The InChIKey is SFHGZCBDEVBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-14-7-8-17(11-12(2)10-16-14)13(3)15-6-5-9-18-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane?
6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane has a molecular weight of 254.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane is sourced from PubChem (CID 54973353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).