5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C11H21NO — CID 91089433

IUPAC5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC(C)CN1CCC2COCC2C1
InChIInChI=1S/C11H21NO/c1-9(2)5-12-4-3-10-7-13-8-11(10)6-12/h9-11H,3-8H2,1-2H3
InChIKeyAALMWXCZCTVAEO-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.61
Rot. Bonds2

About 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 91089433) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID91089433
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC(C)CN1CCC2COCC2C1
InChIInChI=1S/C11H21NO/c1-9(2)5-12-4-3-10-7-13-8-11(10)6-12/h9-11H,3-8H2,1-2H3
InChIKeyAALMWXCZCTVAEO-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 91089433) is 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is CC(C)CN1CCC2COCC2C1.
What is the InChIKey of 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is AALMWXCZCTVAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)5-12-4-3-10-7-13-8-11(10)6-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 183.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 91089433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).