9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one

C15H28N2O — CID 55106025

IUPAC9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCN(CC)CCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C15H28N2O/c1-3-16(4-2)9-6-10-17-13-7-5-8-14(17)12-15(18)11-13/h13-14H,3-12H2,1-2H3
InChIKeyGSLVDHOJGPXQMN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.30
Rot. Bonds6

About 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 55106025) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID55106025
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCN(CC)CCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C15H28N2O/c1-3-16(4-2)9-6-10-17-13-7-5-8-14(17)12-15(18)11-13/h13-14H,3-12H2,1-2H3
InChIKeyGSLVDHOJGPXQMN-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 55106025) is 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one is CCN(CC)CCCN1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is GSLVDHOJGPXQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-16(4-2)9-6-10-17-13-7-5-8-14(17)12-15(18)11-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 252.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(diethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 55106025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).