3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine

C8H12N2O — CID 67698777

IUPAC3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine
SMILESNCC1=CC2CN=CCC2O1
InChIInChI=1S/C8H12N2O/c9-4-7-3-6-5-10-2-1-8(6)11-7/h2-3,6,8H,1,4-5,9H2
InChIKeyFWVNIKAHSNSQTK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.32
Rot. Bonds1

About 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine

3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine (PubChem CID 67698777) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine
PubChem CID67698777
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine
SMILESNCC1=CC2CN=CCC2O1
InChIInChI=1S/C8H12N2O/c9-4-7-3-6-5-10-2-1-8(6)11-7/h2-3,6,8H,1,4-5,9H2
InChIKeyFWVNIKAHSNSQTK-UHFFFAOYSA-N
XLogP0.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine?
The IUPAC name of 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine (CID 67698777) is 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine.
What is the SMILES notation for 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine?
The canonical SMILES for 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine is NCC1=CC2CN=CCC2O1.
What is the InChIKey of 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine?
The InChIKey is FWVNIKAHSNSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-4-7-3-6-5-10-2-1-8(6)11-7/h2-3,6,8H,1,4-5,9H2.
What are the key properties of 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine?
3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydrofuro[3,2-c]pyridin-2-ylmethanamine is sourced from PubChem (CID 67698777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).