3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

C11H22N2 — CID 53406736

IUPAC3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCN1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2/c1-3-4-7-13-8-10-5-6-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyFGZMZZHXJRBCDF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds3

About 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 53406736) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID53406736
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCCN1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2/c1-3-4-7-13-8-10-5-6-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyFGZMZZHXJRBCDF-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 53406736) is 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is CCCCN1CC2CCC(C1)N2C.
What is the InChIKey of 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FGZMZZHXJRBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-7-13-8-10-5-6-11(9-13)12(10)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 53406736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).