6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane

C10H20N2O — CID 134436456

IUPAC6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)OCCN1C2CNCC1C2
InChIInChI=1S/C10H20N2O/c1-8(2)13-4-3-12-9-5-10(12)7-11-6-9/h8-11H,3-7H2,1-2H3
InChIKeyHCXAESRWCFHNIH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds4

About 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane

6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134436456) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134436456
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)OCCN1C2CNCC1C2
InChIInChI=1S/C10H20N2O/c1-8(2)13-4-3-12-9-5-10(12)7-11-6-9/h8-11H,3-7H2,1-2H3
InChIKeyHCXAESRWCFHNIH-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane (CID 134436456) is 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane is CC(C)OCCN1C2CNCC1C2.
What is the InChIKey of 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is HCXAESRWCFHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)13-4-3-12-9-5-10(12)7-11-6-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane?
6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 184.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134436456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).