N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide

C20H38N6O2+2 — CID 7272507

IUPACN,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESCC1(C)CC(=NNC(=O)C(=O)NN=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1
InChIInChI=1S/C20H36N6O2/c1-17(2)9-13(10-18(3,4)25-17)21-23-15(27)16(28)24-22-14-11-19(5,6)26-20(7,8)12-14/h25-26H,9-12H2,1-8H3,(H,23,27)(H,24,28)/p+2
InChIKeyOFOXJVQRDWBQAL-UHFFFAOYSA-P
MW394.56 g/mol
LogP-0.24
Rot. Bonds2

About N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide

N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide (PubChem CID 7272507) has the molecular formula C20H38N6O2+2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide
PubChem CID7272507
Molecular FormulaC20H38N6O2+2
Molecular Weight394.56 g/mol
Exact Mass394.30
IUPAC NameN,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESCC1(C)CC(=NNC(=O)C(=O)NN=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1
InChIInChI=1S/C20H36N6O2/c1-17(2)9-13(10-18(3,4)25-17)21-23-15(27)16(28)24-22-14-11-19(5,6)26-20(7,8)12-14/h25-26H,9-12H2,1-8H3,(H,23,27)(H,24,28)/p+2
InChIKeyOFOXJVQRDWBQAL-UHFFFAOYSA-P
XLogP-0.24
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide?
The IUPAC name of N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide (CID 7272507) is N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide.
What is the SMILES notation for N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide?
The canonical SMILES for N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide is CC1(C)CC(=NNC(=O)C(=O)NN=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1.
What is the InChIKey of N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide?
The InChIKey is OFOXJVQRDWBQAL-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H36N6O2/c1-17(2)9-13(10-18(3,4)25-17)21-23-15(27)16(28)24-22-14-11-19(5,6)26-20(7,8)12-14/h25-26H,9-12H2,1-8H3,(H,23,27)(H,24,28)/p+2.
What are the key properties of N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide?
N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide has a molecular weight of 394.56 g/mol, XLogP of -0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-ylidene)amino]oxamide is sourced from PubChem (CID 7272507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).