7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine

C14H23NO — CID 165477662

IUPAC7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
SMILESCC(C)(C)CCC1(C)NCCc2ccoc21
InChIInChI=1S/C14H23NO/c1-13(2,3)7-8-14(4)12-11(5-9-15-14)6-10-16-12/h6,10,15H,5,7-9H2,1-4H3
InChIKeySZPHVCOEVPTUQD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.47
Rot. Bonds2

About 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine

7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine (PubChem CID 165477662) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
PubChem CID165477662
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
SMILESCC(C)(C)CCC1(C)NCCc2ccoc21
InChIInChI=1S/C14H23NO/c1-13(2,3)7-8-14(4)12-11(5-9-15-14)6-10-16-12/h6,10,15H,5,7-9H2,1-4H3
InChIKeySZPHVCOEVPTUQD-UHFFFAOYSA-N
XLogP3.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165469952
7-cyclobutyl-7-ethyl-5,6-dihydro-4H-furo[2,3-c]pyridine
CID 165477631
spiro[1,4-dioxepane-6,7'-5,6-dihydro-4H-furo[2,3-c]pyridine]
CID 165478271
6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
CID 112715806
spiro[5,6-dihydro-4H-furo[2,3-c]pyridine-7,4'-oxepane]
CID 165477658
spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
CID 83906212
4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one
CID 82417389
2-(3,3-dimethylbutyl)-2-methylpyrrolidine
CID 66466219
(5aS,8aR)-8a-methyl-5,5a,6,7-tetrahydro-4H-cyclopenta[g][1]benzofuran-8-one
CID 101207664
3-(3,3-dimethylbutyl)-3-methyl-5-phenylmorpholin-2-one
CID 57467828
4-methyl-1-[(7R)-7-methyl-5,6-dihydro-4H-1-benzofuran-7-yl]pent-3-en-2-one
CID 102484147
[4-(3,3-dimethylbutyl)piperidin-4-yl]-(1H-inden-2-yl)methanone
CID 158796337

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine?
The IUPAC name of 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine (CID 165477662) is 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine.
What is the SMILES notation for 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine?
The canonical SMILES for 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine is CC(C)(C)CCC1(C)NCCc2ccoc21.
What is the InChIKey of 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine?
The InChIKey is SZPHVCOEVPTUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)7-8-14(4)12-11(5-9-15-14)6-10-16-12/h6,10,15H,5,7-9H2,1-4H3.
What are the key properties of 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine?
7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine has a molecular weight of 221.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutyl)-7-methyl-5,6-dihydro-4H-furo[2,3-c]pyridine is sourced from PubChem (CID 165477662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).