6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

C22H42N2 — CID 123944575

IUPAC6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCC(CN1CCC2CCN(C)C2C1)C1CCCCCCCCCC1
InChIInChI=1S/C22H42N2/c1-19(20-11-9-7-5-3-4-6-8-10-12-20)17-24-16-14-21-13-15-23(2)22(21)18-24/h19-22H,3-18H2,1-2H3
InChIKeyTVWNXKZSMKMMEC-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.18
Rot. Bonds3

About 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 123944575) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID123944575
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCC(CN1CCC2CCN(C)C2C1)C1CCCCCCCCCC1
InChIInChI=1S/C22H42N2/c1-19(20-11-9-7-5-3-4-6-8-10-12-20)17-24-16-14-21-13-15-23(2)22(21)18-24/h19-22H,3-18H2,1-2H3
InChIKeyTVWNXKZSMKMMEC-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (CID 123944575) is 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is CC(CN1CCC2CCN(C)C2C1)C1CCCCCCCCCC1.
What is the InChIKey of 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is TVWNXKZSMKMMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-19(20-11-9-7-5-3-4-6-8-10-12-20)17-24-16-14-21-13-15-23(2)22(21)18-24/h19-22H,3-18H2,1-2H3.
What are the key properties of 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine has a molecular weight of 334.59 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123944575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).