N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide

C11H21N3O — CID 122544233

IUPACN,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1CC2CC(C(=O)N(C)C)CC(C1)N2
InChIInChI=1S/C11H21N3O/c1-13(2)11(15)8-4-9-6-14(3)7-10(5-8)12-9/h8-10,12H,4-7H2,1-3H3
InChIKeyQSZUXCWWWYQHFC-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds1

About N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide

N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 122544233) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID122544233
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1CC2CC(C(=O)N(C)C)CC(C1)N2
InChIInChI=1S/C11H21N3O/c1-13(2)11(15)8-4-9-6-14(3)7-10(5-8)12-9/h8-10,12H,4-7H2,1-3H3
InChIKeyQSZUXCWWWYQHFC-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide (CID 122544233) is N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide is CN1CC2CC(C(=O)N(C)C)CC(C1)N2.
What is the InChIKey of N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is QSZUXCWWWYQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13(2)11(15)8-4-9-6-14(3)7-10(5-8)12-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide?
N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 211.31 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-3,9-diazabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 122544233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).