7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine

C13H22N2 — CID 155374140

IUPAC7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
SMILESCCCC(C)C1=NCC2=C1C(C)CNC2
InChIInChI=1S/C13H22N2/c1-4-5-9(2)13-12-10(3)6-14-7-11(12)8-15-13/h9-10,14H,4-8H2,1-3H3
InChIKeyFAQJHBZPLXLWLF-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.41
Rot. Bonds3

About 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine

7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine (PubChem CID 155374140) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
PubChem CID155374140
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
SMILESCCCC(C)C1=NCC2=C1C(C)CNC2
InChIInChI=1S/C13H22N2/c1-4-5-9(2)13-12-10(3)6-14-7-11(12)8-15-13/h9-10,14H,4-8H2,1-3H3
InChIKeyFAQJHBZPLXLWLF-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine (CID 155374140) is 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine is CCCC(C)C1=NCC2=C1C(C)CNC2.
What is the InChIKey of 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is FAQJHBZPLXLWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-5-9(2)13-12-10(3)6-14-7-11(12)8-15-13/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine?
7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 206.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 155374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).