N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C11H21N3O — CID 115314043

IUPACN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCN(C)C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyYVFBZRZKAYKSKQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds1

About N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 115314043) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID115314043
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCN(C)C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyYVFBZRZKAYKSKQ-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 115314043) is N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CCN(C)C(=O)N1CCC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is YVFBZRZKAYKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 115314043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).