(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine

C9H14N2O — CID 126555597

IUPAC(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESCC1=CNC2C(=C1)OCC[C@H]2N
InChIInChI=1S/C9H14N2O/c1-6-4-8-9(11-5-6)7(10)2-3-12-8/h4-5,7,9,11H,2-3,10H2,1H3/t7-,9?/m1/s1
InChIKeyYOYOITOBIMWUKZ-YOXFSPIKSA-N
MW166.22 g/mol
LogP0.49
Rot. Bonds

About (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine

(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine (PubChem CID 126555597) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound Name(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
PubChem CID126555597
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESCC1=CNC2C(=C1)OCC[C@H]2N
InChIInChI=1S/C9H14N2O/c1-6-4-8-9(11-5-6)7(10)2-3-12-8/h4-5,7,9,11H,2-3,10H2,1H3/t7-,9?/m1/s1
InChIKeyYOYOITOBIMWUKZ-YOXFSPIKSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The IUPAC name of (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine (CID 126555597) is (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine is CC1=CNC2C(=C1)OCC[C@H]2N.
What is the InChIKey of (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
The InChIKey is YOYOITOBIMWUKZ-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-8-9(11-5-6)7(10)2-3-12-8/h4-5,7,9,11H,2-3,10H2,1H3/t7-,9?/m1/s1.
What are the key properties of (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine?
(4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine has a molecular weight of 166.22 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methyl-3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 126555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).