N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide

C13H24N4O2 — CID 65471203

IUPACN-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
SMILESCN1C2CCCC1CC(NC(=O)C(=O)NCCN)C2
InChIInChI=1S/C13H24N4O2/c1-17-10-3-2-4-11(17)8-9(7-10)16-13(19)12(18)15-6-5-14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyQQTIJSZTDODFSP-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.81
Rot. Bonds3

About N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide

N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide (PubChem CID 65471203) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
PubChem CID65471203
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
SMILESCN1C2CCCC1CC(NC(=O)C(=O)NCCN)C2
InChIInChI=1S/C13H24N4O2/c1-17-10-3-2-4-11(17)8-9(7-10)16-13(19)12(18)15-6-5-14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyQQTIJSZTDODFSP-UHFFFAOYSA-N
XLogP-0.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide (CID 65471203) is N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide is CN1C2CCCC1CC(NC(=O)C(=O)NCCN)C2.
What is the InChIKey of N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide?
The InChIKey is QQTIJSZTDODFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17-10-3-2-4-11(17)8-9(7-10)16-13(19)12(18)15-6-5-14/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide?
N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide has a molecular weight of 268.36 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide is sourced from PubChem (CID 65471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).