8-methyl-3-propyl-8-azabicyclo[3.2.1]octane

C11H21N — CID 20594126

IUPAC8-methyl-3-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1CC2CCC(C1)N2C
InChIInChI=1S/C11H21N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h9-11H,3-8H2,1-2H3
InChIKeyQQCAKCPLCUFDNL-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds2

About 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane

8-methyl-3-propyl-8-azabicyclo[3.2.1]octane (PubChem CID 20594126) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-propyl-8-azabicyclo[3.2.1]octane
PubChem CID20594126
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name8-methyl-3-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1CC2CCC(C1)N2C
InChIInChI=1S/C11H21N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h9-11H,3-8H2,1-2H3
InChIKeyQQCAKCPLCUFDNL-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane (CID 20594126) is 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane is CCCC1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane?
The InChIKey is QQCAKCPLCUFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane?
8-methyl-3-propyl-8-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20594126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).