4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

C20H40N4 — CID 164875132

IUPAC4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC(C)N1CCC2NCCC2C1.CC(C)N1CCCC2NCCC21
InChIInChI=1S/2C10H20N2/c1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-7-3-4-9-10(12)5-6-11-9/h2*8-11H,3-7H2,1-2H3
InChIKeyYOAOWKRCPGUQJH-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.30
Rot. Bonds2

About 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 164875132) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID164875132
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC(C)N1CCC2NCCC2C1.CC(C)N1CCCC2NCCC21
InChIInChI=1S/2C10H20N2/c1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-7-3-4-9-10(12)5-6-11-9/h2*8-11H,3-7H2,1-2H3
InChIKeyYOAOWKRCPGUQJH-UHFFFAOYSA-N
XLogP2.30
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 164875132) is 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is CC(C)N1CCC2NCCC2C1.CC(C)N1CCCC2NCCC21.
What is the InChIKey of 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is YOAOWKRCPGUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2/c1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-7-3-4-9-10(12)5-6-11-9/h2*8-11H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 336.57 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 164875132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).