3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine

C15H24N2 — CID 90851028

IUPAC3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCCC(C)C1c2cnccc2C(C)N1C(C)C
InChIInChI=1S/C15H24N2/c1-6-11(4)15-14-9-16-8-7-13(14)12(5)17(15)10(2)3/h7-12,15H,6H2,1-5H3
InChIKeyPEGQNBGAZYOOJJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.95
Rot. Bonds3

About 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine

3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 90851028) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID90851028
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCCC(C)C1c2cnccc2C(C)N1C(C)C
InChIInChI=1S/C15H24N2/c1-6-11(4)15-14-9-16-8-7-13(14)12(5)17(15)10(2)3/h7-12,15H,6H2,1-5H3
InChIKeyPEGQNBGAZYOOJJ-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine (CID 90851028) is 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine is CCC(C)C1c2cnccc2C(C)N1C(C)C.
What is the InChIKey of 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is PEGQNBGAZYOOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-11(4)15-14-9-16-8-7-13(14)12(5)17(15)10(2)3/h7-12,15H,6H2,1-5H3.
What are the key properties of 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine?
3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 90851028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).