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

C9H19N3 — CID 176596667

IUPAC4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NCCC2NCNC21
InChIInChI=1S/C9H19N3/c1-6(2)8-9-7(3-4-10-8)11-5-12-9/h6-12H,3-5H2,1-2H3
InChIKeyTYXQSWZENXZSAJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.11
Rot. Bonds1

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

4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 176596667) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
PubChem CID176596667
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NCCC2NCNC21
InChIInChI=1S/C9H19N3/c1-6(2)8-9-7(3-4-10-8)11-5-12-9/h6-12H,3-5H2,1-2H3
InChIKeyTYXQSWZENXZSAJ-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

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

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Related Compounds

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CID 4239947
5,6,7-tri(propan-2-yl)-1,4-diazepane
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3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
CID 82379536
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 130763039
3-(methoxymethyl)-2-propan-2-ylpyrrolidine
CID 105430787
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
CID 171423027
methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 122163643
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 176800681
4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
CID 140642578
1-(3-methylpiperazin-2-yl)ethanol
CID 170357084

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine (CID 176596667) is 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine is CC(C)C1NCCC2NCNC21.
What is the InChIKey of 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is TYXQSWZENXZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6(2)8-9-7(3-4-10-8)11-5-12-9/h6-12H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine?
4-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 4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 176596667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).