9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one

C16H30N2O — CID 62714644

IUPAC9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C)N(CCN1C2CCCC1CC(=O)C2)C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)17(13(3)4)8-9-18-14-6-5-7-15(18)11-16(19)10-14/h12-15H,5-11H2,1-4H3
InChIKeyBFFJSMNKEJWIJQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.69
Rot. Bonds5

About 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62714644) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62714644
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C)N(CCN1C2CCCC1CC(=O)C2)C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)17(13(3)4)8-9-18-14-6-5-7-15(18)11-16(19)10-14/h12-15H,5-11H2,1-4H3
InChIKeyBFFJSMNKEJWIJQ-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 62714644) is 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one is CC(C)N(CCN1C2CCCC1CC(=O)C2)C(C)C.
What is the InChIKey of 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is BFFJSMNKEJWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)17(13(3)4)8-9-18-14-6-5-7-15(18)11-16(19)10-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 266.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62714644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).