8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane

C12H24N2O — CID 70847448

IUPAC8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)OCCN1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O/c1-10(2)15-7-6-14-8-11-4-5-12(9-14)13(11)3/h10-12H,4-9H2,1-3H3
InChIKeyISIGBECSWUEPBG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds4

About 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 70847448) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID70847448
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)OCCN1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2O/c1-10(2)15-7-6-14-8-11-4-5-12(9-14)13(11)3/h10-12H,4-9H2,1-3H3
InChIKeyISIGBECSWUEPBG-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane (CID 70847448) is 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)OCCN1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ISIGBECSWUEPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)15-7-6-14-8-11-4-5-12(9-14)13(11)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 70847448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).