3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane

C12H23N — CID 146239018

IUPAC3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1CC2CC(C)CC1N2C
InChIInChI=1S/C12H23N/c1-4-5-10-8-11-6-9(2)7-12(10)13(11)3/h9-12H,4-8H2,1-3H3
InChIKeyUAOUPWLQPVZKGG-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds2

About 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane

3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane (PubChem CID 146239018) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane
PubChem CID146239018
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1CC2CC(C)CC1N2C
InChIInChI=1S/C12H23N/c1-4-5-10-8-11-6-9(2)7-12(10)13(11)3/h9-12H,4-8H2,1-3H3
InChIKeyUAOUPWLQPVZKGG-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane (CID 146239018) is 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane is CCCC1CC2CC(C)CC1N2C.
What is the InChIKey of 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane?
The InChIKey is UAOUPWLQPVZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-10-8-11-6-9(2)7-12(10)13(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane?
3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 146239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).