2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H21N3 — CID 129287130

IUPAC2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCC(C)(C)Cc1nc2c([nH]1)CNCC2
InChIInChI=1S/C12H21N3/c1-4-12(2,3)7-11-14-9-5-6-13-8-10(9)15-11/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMOFXRTSXJPEBOF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.03
Rot. Bonds3

About 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 129287130) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID129287130
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCC(C)(C)Cc1nc2c([nH]1)CNCC2
InChIInChI=1S/C12H21N3/c1-4-12(2,3)7-11-14-9-5-6-13-8-10(9)15-11/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMOFXRTSXJPEBOF-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 129287130) is 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CCC(C)(C)Cc1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is MOFXRTSXJPEBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(2,3)7-11-14-9-5-6-13-8-10(9)15-11/h13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 129287130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).