6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

C11H22N2 — CID 89346367

IUPAC6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCC(C)N1CCCC2CN(C)CC21
InChIInChI=1S/C11H22N2/c1-9(2)13-6-4-5-10-7-12(3)8-11(10)13/h9-11H,4-8H2,1-3H3
InChIKeyXICFAMQYUMPOEY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds1

About 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 89346367) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID89346367
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCC(C)N1CCCC2CN(C)CC21
InChIInChI=1S/C11H22N2/c1-9(2)13-6-4-5-10-7-12(3)8-11(10)13/h9-11H,4-8H2,1-3H3
InChIKeyXICFAMQYUMPOEY-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (CID 89346367) is 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is CC(C)N1CCCC2CN(C)CC21.
What is the InChIKey of 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is XICFAMQYUMPOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-6-4-5-10-7-12(3)8-11(10)13/h9-11H,4-8H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 89346367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).