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

C8H16N2 — CID 58467359

IUPAC6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1C2CC1CN(C)C2
InChIInChI=1S/C8H16N2/c1-3-10-7-4-8(10)6-9(2)5-7/h7-8H,3-6H2,1-2H3
InChIKeyRWGVKZCVPRCCTD-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.39
Rot. Bonds1

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

6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 58467359) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID58467359
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1C2CC1CN(C)C2
InChIInChI=1S/C8H16N2/c1-3-10-7-4-8(10)6-9(2)5-7/h7-8H,3-6H2,1-2H3
InChIKeyRWGVKZCVPRCCTD-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 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane (CID 58467359) is 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane is CCN1C2CC1CN(C)C2.
What is the InChIKey of 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is RWGVKZCVPRCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-10-7-4-8(10)6-9(2)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane?
6-ethyl-3-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 6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 58467359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).