ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C14H31NO — CID 143368929

IUPACethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC.CC.CCC1CC2CN(C)CCC2O1
InChIInChI=1S/C10H19NO.2C2H6/c1-3-9-6-8-7-11(2)5-4-10(8)12-9;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3
InChIKeyUPGQMPLPLQFPAB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds1

About ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 143368929) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID143368929
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC.CC.CCC1CC2CN(C)CCC2O1
InChIInChI=1S/C10H19NO.2C2H6/c1-3-9-6-8-7-11(2)5-4-10(8)12-9;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3
InChIKeyUPGQMPLPLQFPAB-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 143368929) is ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CC.CC.CCC1CC2CN(C)CCC2O1.
What is the InChIKey of ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is UPGQMPLPLQFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.2C2H6/c1-3-9-6-8-7-11(2)5-4-10(8)12-9;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 229.41 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 143368929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).