2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole

C9H19N3 — CID 58312374

IUPAC2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC1(C)CN2CC(C)(C)NC2N1
InChIInChI=1S/C9H19N3/c1-8(2)5-12-6-9(3,4)11-7(12)10-8/h7,10-11H,5-6H2,1-4H3
InChIKeyAGJDEOOQSIBKMS-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.34
Rot. Bonds

About 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole

2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole (PubChem CID 58312374) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole
PubChem CID58312374
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC1(C)CN2CC(C)(C)NC2N1
InChIInChI=1S/C9H19N3/c1-8(2)5-12-6-9(3,4)11-7(12)10-8/h7,10-11H,5-6H2,1-4H3
InChIKeyAGJDEOOQSIBKMS-UHFFFAOYSA-N
XLogP0.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole?
The IUPAC name of 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole (CID 58312374) is 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole.
What is the SMILES notation for 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole?
The canonical SMILES for 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole is CC1(C)CN2CC(C)(C)NC2N1.
What is the InChIKey of 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole?
The InChIKey is AGJDEOOQSIBKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)5-12-6-9(3,4)11-7(12)10-8/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole?
2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole has a molecular weight of 169.27 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-3,5,7,7a-tetrahydro-1H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 58312374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).