4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C13H21NO — CID 165469838

IUPAC4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC(C)CC(C)C1NCCc2occc21
InChIInChI=1S/C13H21NO/c1-9(2)8-10(3)13-11-5-7-15-12(11)4-6-14-13/h5,7,9-10,13-14H,4,6,8H2,1-3H3
InChIKeyBKDUWYCYTHSUGP-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 165469838) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID165469838
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC(C)CC(C)C1NCCc2occc21
InChIInChI=1S/C13H21NO/c1-9(2)8-10(3)13-11-5-7-15-12(11)4-6-14-13/h5,7,9-10,13-14H,4,6,8H2,1-3H3
InChIKeyBKDUWYCYTHSUGP-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 165469838) is 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is CC(C)CC(C)C1NCCc2occc21.
What is the InChIKey of 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is BKDUWYCYTHSUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)8-10(3)13-11-5-7-15-12(11)4-6-14-13/h5,7,9-10,13-14H,4,6,8H2,1-3H3.
What are the key properties of 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 165469838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).