3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane

C8H16N2 — CID 58467557

IUPAC3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)N2C
InChIInChI=1S/C8H16N2/c1-3-10-5-7-4-8(6-10)9(7)2/h7-8H,3-6H2,1-2H3
InChIKeyPTYOMFYAPCYOJD-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.39
Rot. Bonds1

About 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane

3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 58467557) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID58467557
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)N2C
InChIInChI=1S/C8H16N2/c1-3-10-5-7-4-8(6-10)9(7)2/h7-8H,3-6H2,1-2H3
InChIKeyPTYOMFYAPCYOJD-UHFFFAOYSA-N
XLogP0.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane (CID 58467557) is 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane is CCN1CC2CC(C1)N2C.
What is the InChIKey of 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is PTYOMFYAPCYOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-10-5-7-4-8(6-10)9(7)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 140.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 58467557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).