6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane

C9H18N2 — CID 121451791

IUPAC6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CC1CN(C)C2
InChIInChI=1S/C9H18N2/c1-3-11-6-8-4-9(11)7-10(2)5-8/h8-9H,3-7H2,1-2H3
InChIKeyBNARJJINOWNCLR-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds1

About 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane

6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 121451791) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID121451791
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CC1CN(C)C2
InChIInChI=1S/C9H18N2/c1-3-11-6-8-4-9(11)7-10(2)5-8/h8-9H,3-7H2,1-2H3
InChIKeyBNARJJINOWNCLR-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane (CID 121451791) is 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane is CCN1CC2CC1CN(C)C2.
What is the InChIKey of 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is BNARJJINOWNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-11-6-8-4-9(11)7-10(2)5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane?
6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 154.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 121451791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).