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

C9H18N2 — CID 143005800

IUPAC4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
SMILESCN1CC2NCCCC2(C)C1
InChIInChI=1S/C9H18N2/c1-9-4-3-5-10-8(9)6-11(2)7-9/h8,10H,3-7H2,1-2H3
InChIKeyPTSCGRYPFDKDCX-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

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

4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 143005800) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID143005800
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
SMILESCN1CC2NCCCC2(C)C1
InChIInChI=1S/C9H18N2/c1-9-4-3-5-10-8(9)6-11(2)7-9/h8,10H,3-7H2,1-2H3
InChIKeyPTSCGRYPFDKDCX-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine (CID 143005800) is 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine is CN1CC2NCCCC2(C)C1.
What is the InChIKey of 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is PTSCGRYPFDKDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-4-3-5-10-8(9)6-11(2)7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dimethyl-2,3,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 143005800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).