2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C15H26N2O — CID 2055141

IUPAC2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCCC1(C)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C15H26N2O/c1-5-6-7-15(4)16-8-13(2)9-17(15)11-14(3,10-16)12(13)18/h5-11H2,1-4H3
InChIKeyVCVBLPUUUJLENR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds3

About 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 2055141) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID2055141
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCCC1(C)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C15H26N2O/c1-5-6-7-15(4)16-8-13(2)9-17(15)11-14(3,10-16)12(13)18/h5-11H2,1-4H3
InChIKeyVCVBLPUUUJLENR-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 2055141) is 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCCC1(C)N2CC3(C)CN1CC(C)(C2)C3=O.
What is the InChIKey of 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is VCVBLPUUUJLENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-15(4)16-8-13(2)9-17(15)11-14(3,10-16)12(13)18/h5-11H2,1-4H3.
What are the key properties of 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 250.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 2055141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).