3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one

C8H15N3O — CID 146514104

IUPAC3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESCNN1C2CCC1C(=O)N(C)C2
InChIInChI=1S/C8H15N3O/c1-9-11-6-3-4-7(11)8(12)10(2)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeySSERHUVANMVNKE-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.57
Rot. Bonds1

About 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one

3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one (PubChem CID 146514104) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one
PubChem CID146514104
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESCNN1C2CCC1C(=O)N(C)C2
InChIInChI=1S/C8H15N3O/c1-9-11-6-3-4-7(11)8(12)10(2)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeySSERHUVANMVNKE-UHFFFAOYSA-N
XLogP-0.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one (CID 146514104) is 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one is CNN1C2CCC1C(=O)N(C)C2.
What is the InChIKey of 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one?
The InChIKey is SSERHUVANMVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-11-6-3-4-7(11)8(12)10(2)5-6/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one?
3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 146514104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).