N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C11H21N3O — CID 45110795

IUPACN-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C11H21N3O/c1-2-5-12-11(15)14-7-9-3-4-10(8-14)13-6-9/h9-10,13H,2-8H2,1H3,(H,12,15)
InChIKeyRGALHTFZILSRBQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.79
Rot. Bonds2

About N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 45110795) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound NameN-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID45110795
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C11H21N3O/c1-2-5-12-11(15)14-7-9-3-4-10(8-14)13-6-9/h9-10,13H,2-8H2,1H3,(H,12,15)
InChIKeyRGALHTFZILSRBQ-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 45110795) is N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CCCNC(=O)N1CC2CCC(C1)NC2.
What is the InChIKey of N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is RGALHTFZILSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-5-12-11(15)14-7-9-3-4-10(8-14)13-6-9/h9-10,13H,2-8H2,1H3,(H,12,15).
What are the key properties of N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 45110795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).