2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine

C9H19N3 — CID 164721260

IUPAC2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NC2CCNCC2N1
InChIInChI=1S/C9H19N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6-12H,3-5H2,1-2H3
InChIKeyUYKATRWOAWHUBF-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.11
Rot. Bonds1

About 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine

2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 164721260) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
PubChem CID164721260
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NC2CCNCC2N1
InChIInChI=1S/C9H19N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6-12H,3-5H2,1-2H3
InChIKeyUYKATRWOAWHUBF-UHFFFAOYSA-N
XLogP-0.11
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine (CID 164721260) is 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine is CC(C)C1NC2CCNCC2N1.
What is the InChIKey of 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is UYKATRWOAWHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 169.27 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 164721260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).