ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane

C15H34N2O2 — CID 172596548

IUPACethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.COCOC(C)CN1C2CCC1CNC2
InChIInChI=1S/C11H22N2O2.2C2H6/c1-9(15-8-14-2)7-13-10-3-4-11(13)6-12-5-10;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3
InChIKeyHHPNOUZYOMYBJM-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.48
Rot. Bonds5

About ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane

ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 172596548) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID172596548
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.COCOC(C)CN1C2CCC1CNC2
InChIInChI=1S/C11H22N2O2.2C2H6/c1-9(15-8-14-2)7-13-10-3-4-11(13)6-12-5-10;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3
InChIKeyHHPNOUZYOMYBJM-UHFFFAOYSA-N
XLogP2.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane (CID 172596548) is ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane is CC.CC.COCOC(C)CN1C2CCC1CNC2.
What is the InChIKey of ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is HHPNOUZYOMYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2C2H6/c1-9(15-8-14-2)7-13-10-3-4-11(13)6-12-5-10;2*1-2/h9-12H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane?
ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 274.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-[2-(methoxymethoxy)propyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 172596548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).