5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine

C12H20N2 — CID 161314046

IUPAC5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CN(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2/c1-9-11-8-14(12(2,3)4)6-5-10(11)7-13-9/h5-8H2,1-4H3
InChIKeyVJGNAIPNBGIJQZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.26
Rot. Bonds

About 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine

5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 161314046) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID161314046
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CN(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2/c1-9-11-8-14(12(2,3)4)6-5-10(11)7-13-9/h5-8H2,1-4H3
InChIKeyVJGNAIPNBGIJQZ-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 161314046) is 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is CC1=NCC2=C1CN(C(C)(C)C)CC2.
What is the InChIKey of 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is VJGNAIPNBGIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-11-8-14(12(2,3)4)6-5-10(11)7-13-9/h5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 192.31 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 161314046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).