3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane

C15H27N3 — CID 123986607

IUPAC3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESC=C1CCC(N2C3CC2CN(C)C3)NC1C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)15-11(3)5-6-14(16-15)18-12-7-13(18)9-17(4)8-12/h10,12-16H,3,5-9H2,1-2,4H3
InChIKeyQOLCGGIKMSLLGM-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.66
Rot. Bonds2

About 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane

3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 123986607) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID123986607
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESC=C1CCC(N2C3CC2CN(C)C3)NC1C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)15-11(3)5-6-14(16-15)18-12-7-13(18)9-17(4)8-12/h10,12-16H,3,5-9H2,1-2,4H3
InChIKeyQOLCGGIKMSLLGM-UHFFFAOYSA-N
XLogP1.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane (CID 123986607) is 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane is C=C1CCC(N2C3CC2CN(C)C3)NC1C(C)C.
What is the InChIKey of 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is QOLCGGIKMSLLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)15-11(3)5-6-14(16-15)18-12-7-13(18)9-17(4)8-12/h10,12-16H,3,5-9H2,1-2,4H3.
What are the key properties of 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane?
3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 249.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 123986607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).