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

C9H17N3O — CID 45110664

IUPACN-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C9H17N3O/c1-10-9(13)12-5-7-2-3-8(6-12)11-4-7/h7-8,11H,2-6H2,1H3,(H,10,13)
InChIKeyIFPYZZWYEFTAOB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.01
Rot. Bonds

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

N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 45110664) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID45110664
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C9H17N3O/c1-10-9(13)12-5-7-2-3-8(6-12)11-4-7/h7-8,11H,2-6H2,1H3,(H,10,13)
InChIKeyIFPYZZWYEFTAOB-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-3,6-diazabicyclo[3.2.2]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-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 45110664) is N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CNC(=O)N1CC2CCC(C1)NC2.
What is the InChIKey of N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is IFPYZZWYEFTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-9(13)12-5-7-2-3-8(6-12)11-4-7/h7-8,11H,2-6H2,1H3,(H,10,13).
What are the key properties of N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 45110664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).